2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane

C23H46N4 — CID 161482780

IUPAC2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(C)N1CCC2(CCNC2)C1.CN1CCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2.C11H22N2/c1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11/h5-10H2,1-4H3;12H,4-9H2,1-3H3
InChIKeyWEOVCTCLUOPQJZ-UHFFFAOYSA-N
MW378.65 g/mol
LogP3.28
Rot. Bonds

About 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane

2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 161482780) has the molecular formula C23H46N4 and a molecular weight of 378.65 g/mol. Its IUPAC name is 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID161482780
Molecular FormulaC23H46N4
Molecular Weight378.65 g/mol
Exact Mass378.37
IUPAC Name2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(C)N1CCC2(CCNC2)C1.CN1CCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2.C11H22N2/c1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11/h5-10H2,1-4H3;12H,4-9H2,1-3H3
InChIKeyWEOVCTCLUOPQJZ-UHFFFAOYSA-N
XLogP3.28
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane (CID 161482780) is 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane is CC(C)(C)N1CCC2(CCNC2)C1.CN1CCC2(CCN(C(C)(C)C)C2)C1.
What is the InChIKey of 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is WEOVCTCLUOPQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H22N2/c1-11(2,3)14-8-6-12(10-14)5-7-13(4)9-12;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11/h5-10H2,1-4H3;12H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane?
2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 378.65 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 161482780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).