1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one

C19H35NO — CID 168854257

IUPAC1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)CCC1CC2(CCN(C(=O)C(C)(C)C)CC2)C1
InChIInChI=1S/C19H35NO/c1-17(2,3)8-7-15-13-19(14-15)9-11-20(12-10-19)16(21)18(4,5)6/h15H,7-14H2,1-6H3
InChIKeySSXNAJCYYPVKRA-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.88
Rot. Bonds2

About 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one

1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 168854257) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one
PubChem CID168854257
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)CCC1CC2(CCN(C(=O)C(C)(C)C)CC2)C1
InChIInChI=1S/C19H35NO/c1-17(2,3)8-7-15-13-19(14-15)9-11-20(12-10-19)16(21)18(4,5)6/h15H,7-14H2,1-6H3
InChIKeySSXNAJCYYPVKRA-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 126750142
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 56962135
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
CID 126750228
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
1-[4-(2-hydroxyethyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 155951870
1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 170063585
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
1-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-4-(7-methyl-7-azaspiro[3.5]nonan-2-yl)butan-1-one
CID 170133437
3-(3,3-dimethylbutyl)-1-fluoro-1-methylcyclobutane
CID 159021847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one (CID 168854257) is 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one is CC(C)(C)CCC1CC2(CCN(C(=O)C(C)(C)C)CC2)C1.
What is the InChIKey of 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SSXNAJCYYPVKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-17(2,3)8-7-15-13-19(14-15)9-11-20(12-10-19)16(21)18(4,5)6/h15H,7-14H2,1-6H3.
What are the key properties of 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one?
1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 293.50 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 168854257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).