[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol

C17H33NO — CID 79126283

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
SMILESCC1(C)CCC(CN)(C(O)C2CCCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-16(2)9-11-17(13-18,12-10-16)15(19)14-7-5-3-4-6-8-14/h14-15,19H,3-13,18H2,1-2H3
InChIKeyAEZNOJXHNVJSAY-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.86
Rot. Bonds3

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol (PubChem CID 79126283) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
PubChem CID79126283
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
SMILESCC1(C)CCC(CN)(C(O)C2CCCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-16(2)9-11-17(13-18,12-10-16)15(19)14-7-5-3-4-6-8-14/h14-15,19H,3-13,18H2,1-2H3
InChIKeyAEZNOJXHNVJSAY-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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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol (CID 79126283) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol is CC1(C)CCC(CN)(C(O)C2CCCCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol?
The InChIKey is AEZNOJXHNVJSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2)9-11-17(13-18,12-10-16)15(19)14-7-5-3-4-6-8-14/h14-15,19H,3-13,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol 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-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol is sourced from PubChem (CID 79126283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).