4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane

C42H82N4 — CID 159691847

IUPAC4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C(C)C1.CC(C)N1CCC2(CCC2)CC1
InChIInChI=1S/2C11H21N.C10H19N.C10H21N/c1-9(2)12-7-6-11(4-5-11)10(3)8-12;1-10(2)12-8-6-11(7-9-12)4-3-5-11;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-5-10(3,4)6-8-11/h9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3
InChIKeyMWNANZRHHTZSQA-UHFFFAOYSA-N
MW643.15 g/mol
LogP9.97
Rot. Bonds4

About 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane

4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane (PubChem CID 159691847) has the molecular formula C42H82N4 and a molecular weight of 643.15 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane
PubChem CID159691847
Molecular FormulaC42H82N4
Molecular Weight643.15 g/mol
Exact Mass642.65
IUPAC Name4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C(C)C1.CC(C)N1CCC2(CCC2)CC1
InChIInChI=1S/2C11H21N.C10H19N.C10H21N/c1-9(2)12-7-6-11(4-5-11)10(3)8-12;1-10(2)12-8-6-11(7-9-12)4-3-5-11;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-5-10(3,4)6-8-11/h9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3
InChIKeyMWNANZRHHTZSQA-UHFFFAOYSA-N
XLogP9.97
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.15
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane (CID 159691847) is 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane is CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCC2(CC2)C(C)C1.CC(C)N1CCC2(CCC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane?
The InChIKey is MWNANZRHHTZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21N.C10H19N.C10H21N/c1-9(2)12-7-6-11(4-5-11)10(3)8-12;1-10(2)12-8-6-11(7-9-12)4-3-5-11;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-5-10(3,4)6-8-11/h9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane?
4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane has a molecular weight of 643.15 g/mol, XLogP of 9.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylpiperidine;8-methyl-6-propan-2-yl-6-azaspiro[2.5]octane;7-propan-2-yl-7-azaspiro[3.5]nonane;6-propan-2-yl-6-azaspiro[2.5]octane is sourced from PubChem (CID 159691847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).