1-(1-pentan-2-ylazepan-2-yl)propan-2-ol

C14H29NO — CID 107890496

IUPAC1-(1-pentan-2-ylazepan-2-yl)propan-2-ol
SMILESCCCC(C)N1CCCCCC1CC(C)O
InChIInChI=1S/C14H29NO/c1-4-8-12(2)15-10-7-5-6-9-14(15)11-13(3)16/h12-14,16H,4-11H2,1-3H3
InChIKeyVPPSGMYTHKGZMF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds5

About 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol

1-(1-pentan-2-ylazepan-2-yl)propan-2-ol (PubChem CID 107890496) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-pentan-2-ylazepan-2-yl)propan-2-ol
PubChem CID107890496
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-pentan-2-ylazepan-2-yl)propan-2-ol
SMILESCCCC(C)N1CCCCCC1CC(C)O
InChIInChI=1S/C14H29NO/c1-4-8-12(2)15-10-7-5-6-9-14(15)11-13(3)16/h12-14,16H,4-11H2,1-3H3
InChIKeyVPPSGMYTHKGZMF-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-pentan-2-ylazepan-2-yl)propan-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-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine
CID 398123
(-)-N-Methylsedridine
CID 15226582
1-[6-(2-Hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol
CID 162851712
1-[6-(2-Hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol
CID 163032585
(1-Ethyl-2-azepanyl)methanol
CID 2849413
(+)-N-Methylallosedridine
CID 10888171
1-[6-(2-Hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol
CID 15838352
trans-(1S,2S)-6-(dimethylamino)-2-fluorocycloheptan-1-ol
CID 167305724
10-(Dimethylamino)undecan-4-ol
CID 109342
alpha-Ethyl-1-methyl-2-piperidineethanol
CID 11972083
1-Methyl-alpha-pentyl-2-piperidineethanol
CID 11972087

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol (CID 107890496) is 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol is CCCC(C)N1CCCCCC1CC(C)O.
What is the InChIKey of 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol?
The InChIKey is VPPSGMYTHKGZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-8-12(2)15-10-7-5-6-9-14(15)11-13(3)16/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol?
1-(1-pentan-2-ylazepan-2-yl)propan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-2-ylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 107890496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).