1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol

C19H37NO — CID 80610748

IUPAC1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(C2(CN)CCCCCCC2)CC1
InChIInChI=1S/C19H37NO/c1-16(2)17-9-8-13-19(21,14-10-17)18(15-20)11-6-4-3-5-7-12-18/h16-17,21H,3-15,20H2,1-2H3
InChIKeyBOUGQRWQYYVVEH-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.64
Rot. Bonds3

About 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol

1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol (PubChem CID 80610748) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
PubChem CID80610748
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(C2(CN)CCCCCCC2)CC1
InChIInChI=1S/C19H37NO/c1-16(2)17-9-8-13-19(21,14-10-17)18(15-20)11-6-4-3-5-7-12-18/h16-17,21H,3-15,20H2,1-2H3
InChIKeyBOUGQRWQYYVVEH-UHFFFAOYSA-N
XLogP4.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-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-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450682
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450677
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
CID 79135943
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
CID 80699615
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol (CID 80610748) is 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol is CC(C)C1CCCC(O)(C2(CN)CCCCCCC2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is BOUGQRWQYYVVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-16(2)17-9-8-13-19(21,14-10-17)18(15-20)11-6-4-3-5-7-12-18/h16-17,21H,3-15,20H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol?
1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 80610748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).