3-(cyclohexylmethylamino)propan-1-ol

C10H21NO — CID 12687390

IUPAC3-(cyclohexylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCC1
InChIInChI=1S/C10H21NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h10-12H,1-9H2
InChIKeyZAPLPWPMTZBHPD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds5

About 3-(cyclohexylmethylamino)propan-1-ol

3-(cyclohexylmethylamino)propan-1-ol (PubChem CID 12687390) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)propan-1-ol
PubChem CID12687390
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(cyclohexylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCC1
InChIInChI=1S/C10H21NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h10-12H,1-9H2
InChIKeyZAPLPWPMTZBHPD-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)propan-1-ol?
The IUPAC name of 3-(cyclohexylmethylamino)propan-1-ol (CID 12687390) is 3-(cyclohexylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(cyclohexylmethylamino)propan-1-ol?
The canonical SMILES for 3-(cyclohexylmethylamino)propan-1-ol is OCCCNCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylamino)propan-1-ol?
The InChIKey is ZAPLPWPMTZBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h10-12H,1-9H2.
What are the key properties of 3-(cyclohexylmethylamino)propan-1-ol?
3-(cyclohexylmethylamino)propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)propan-1-ol is sourced from PubChem (CID 12687390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).