2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol

C18H29NO — CID 79855992

IUPAC2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(CCCc2ccccc2)C1O
InChIInChI=1S/C18H29NO/c1-17(2)11-7-13-18(14-19,16(17)20)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,16,20H,6-7,10-14,19H2,1-2H3
InChIKeyZSVGEGXKKOJFRD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.53
Rot. Bonds5

About 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol

2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol (PubChem CID 79855992) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol
PubChem CID79855992
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(CCCc2ccccc2)C1O
InChIInChI=1S/C18H29NO/c1-17(2)11-7-13-18(14-19,16(17)20)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,16,20H,6-7,10-14,19H2,1-2H3
InChIKeyZSVGEGXKKOJFRD-UHFFFAOYSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855155
2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855538
2-(aminomethyl)-5,5-dimethyl-2-(2-phenylsulfanylethyl)cyclopentan-1-ol
CID 79866781
[2-methyl-1-(3-phenylpropyl)cyclopropyl]methanol
CID 20672612
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855011
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855610
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 79864655
[4-(3-phenylpropyl)oxan-4-yl]methanamine
CID 62906769
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol (CID 79855992) is 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol is CC1(C)CCCC(CN)(CCCc2ccccc2)C1O.
What is the InChIKey of 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol?
The InChIKey is ZSVGEGXKKOJFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2)11-7-13-18(14-19,16(17)20)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,16,20H,6-7,10-14,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol?
2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 79855992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).