1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol

C11H23NO — CID 107429492

IUPAC1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(CN)C1
InChIInChI=1S/C11H23NO/c1-9(2)6-10-4-3-5-11(13,7-10)8-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyNREJCPVZZGPEMP-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds3

About 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429492) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429492
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(CN)C1
InChIInChI=1S/C11H23NO/c1-9(2)6-10-4-3-5-11(13,7-10)8-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyNREJCPVZZGPEMP-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 107429669
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429751
1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429768
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429641
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
CID 107428904
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429492) is 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(CN)C1.
What is the InChIKey of 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is NREJCPVZZGPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)6-10-4-3-5-11(13,7-10)8-12/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).