1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol

C17H33NO — CID 107450682

IUPAC1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C2(CN)CCCCCC2)C1
InChIInChI=1S/C17H33NO/c1-14(2)15-8-7-11-17(19,12-15)16(13-18)9-5-3-4-6-10-16/h14-15,19H,3-13,18H2,1-2H3
InChIKeyWXHVIAYZCSTXLE-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.86
Rot. Bonds3

About 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol

1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107450682) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID107450682
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C2(CN)CCCCCC2)C1
InChIInChI=1S/C17H33NO/c1-14(2)15-8-7-11-17(19,12-15)16(13-18)9-5-3-4-6-10-16/h14-15,19H,3-13,18H2,1-2H3
InChIKeyWXHVIAYZCSTXLE-UHFFFAOYSA-N
XLogP3.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
CID 80610748
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450677
1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79126430
1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
CID 80603544
1-(1-hydroxy-3-propan-2-ylcyclohexyl)cyclohexane-1-carbonitrile
CID 107450654
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol (CID 107450682) is 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(C2(CN)CCCCCC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is WXHVIAYZCSTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)15-8-7-11-17(19,12-15)16(13-18)9-5-3-4-6-10-16/h14-15,19H,3-13,18H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol?
1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107450682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).