1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol

C14H29NO — CID 114449017

IUPAC1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)14(5,16)11-15-9-6-7-13(3,4)8-10-15/h12,16H,6-11H2,1-5H3
InChIKeyBBLRXUMUXIPJSO-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds3

About 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol

1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 114449017) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID114449017
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CCCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)14(5,16)11-15-9-6-7-13(3,4)8-10-15/h12,16H,6-11H2,1-5H3
InChIKeyBBLRXUMUXIPJSO-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol 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

1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
2-[(4,4-dimethylazepan-1-yl)methyl]-2-ethylbutanoic acid
CID 65281921
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine
CID 65282350
3-(4,4-dimethylazepan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65282401
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 65286449
tert-butyl 3-(4,4-dimethylazepan-1-yl)propanoate
CID 113241454

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol (CID 114449017) is 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1CCCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is BBLRXUMUXIPJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)14(5,16)11-15-9-6-7-13(3,4)8-10-15/h12,16H,6-11H2,1-5H3.
What are the key properties of 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol?
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114449017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).