4-(3-amino-2-methylpropyl)cyclohexan-1-ol

C10H21NO — CID 174312157

IUPAC4-(3-amino-2-methylpropyl)cyclohexan-1-ol
SMILESCC(CN)CC1CCC(O)CC1
InChIInChI=1S/C10H21NO/c1-8(7-11)6-9-2-4-10(12)5-3-9/h8-10,12H,2-7,11H2,1H3
InChIKeyNQNHLDCFGGNBDW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.52
Rot. Bonds3

About 4-(3-amino-2-methylpropyl)cyclohexan-1-ol

4-(3-amino-2-methylpropyl)cyclohexan-1-ol (PubChem CID 174312157) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-amino-2-methylpropyl)cyclohexan-1-ol
PubChem CID174312157
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(3-amino-2-methylpropyl)cyclohexan-1-ol
SMILESCC(CN)CC1CCC(O)CC1
InChIInChI=1S/C10H21NO/c1-8(7-11)6-9-2-4-10(12)5-3-9/h8-10,12H,2-7,11H2,1H3
InChIKeyNQNHLDCFGGNBDW-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)cyclohexyl]propan-2-ol
CID 70069622
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate
CID 131972278
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid
CID 68872167
4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
CID 138556605
2-methyl-3-(thiolan-3-yl)propan-1-amine
CID 117104663
[4-(2-methylbutyl)cyclohexyl]methanamine
CID 130208059
1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
CID 163989914
4-propan-2-ylcyclohexan-1-ol
CID 159817143
(4S)-6-(4-hydroxycyclohexyl)-4-methylhexan-2-one
CID 159765840
cyclohexane-1,4-diol;2-methylbutane
CID 145319923

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 4-(3-amino-2-methylpropyl)cyclohexan-1-ol (CID 174312157) is 4-(3-amino-2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-amino-2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 4-(3-amino-2-methylpropyl)cyclohexan-1-ol is CC(CN)CC1CCC(O)CC1.
What is the InChIKey of 4-(3-amino-2-methylpropyl)cyclohexan-1-ol?
The InChIKey is NQNHLDCFGGNBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(7-11)6-9-2-4-10(12)5-3-9/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 4-(3-amino-2-methylpropyl)cyclohexan-1-ol?
4-(3-amino-2-methylpropyl)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 174312157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).