7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane

C98H196N16 — CID 162143206

IUPAC7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CN(C)C2)C1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1.CN1CC12CCN(C(C)(C)C)CC2.CN1CCC2(CCCN(C(C)(C)C)C2)C1.CN1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/5C13H26N2.C12H24N2.C11H22N2.C10H20N2/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-12(2,3)15-8-5-6-13(11-15)7-9-14(4)10-13;1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2,3)13-7-5-11(6-8-13)9-12(11)4;1-9(2)12-5-4-10(8-12)6-11(3)7-10/h5-11H2,1-4H3;12H,4-11H2,1-3H3;5-11H2,1-4H3;2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyZKEXWFNFSCISSL-UHFFFAOYSA-N
MW1598.76 g/mol
LogP15.57
Rot. Bonds5

About 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane

7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 162143206) has the molecular formula C98H196N16 and a molecular weight of 1598.76 g/mol. Its IUPAC name is 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID162143206
Molecular FormulaC98H196N16
Molecular Weight1598.76 g/mol
Exact Mass1597.58
IUPAC Name7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CN(C)C2)C1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1.CN1CC12CCN(C(C)(C)C)CC2.CN1CCC2(CCCN(C(C)(C)C)C2)C1.CN1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/5C13H26N2.C12H24N2.C11H22N2.C10H20N2/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-12(2,3)15-8-5-6-13(11-15)7-9-14(4)10-13;1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2,3)13-7-5-11(6-8-13)9-12(11)4;1-9(2)12-5-4-10(8-12)6-11(3)7-10/h5-11H2,1-4H3;12H,4-11H2,1-3H3;5-11H2,1-4H3;2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyZKEXWFNFSCISSL-UHFFFAOYSA-N
XLogP15.57
TPSA51.61 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms114
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.76
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane (CID 162143206) is 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CN(C)C2)C1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1.CN1CC12CCN(C(C)(C)C)CC2.CN1CCC2(CCCN(C(C)(C)C)C2)C1.CN1CCC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is ZKEXWFNFSCISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C13H26N2.C12H24N2.C11H22N2.C10H20N2/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-12(2,3)15-8-5-6-13(11-15)7-9-14(4)10-13;1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2,3)13-7-5-11(6-8-13)9-12(11)4;1-9(2)12-5-4-10(8-12)6-11(3)7-10/h5-11H2,1-4H3;12H,4-11H2,1-3H3;5-11H2,1-4H3;2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;9H,4-8H2,1-3H3.
What are the key properties of 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 1598.76 g/mol, XLogP of 15.57, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-methyl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 162143206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).