1-(propylaminomethyl)cyclohexan-1-ol

C10H21NO — CID 60902090

IUPAC1-(propylaminomethyl)cyclohexan-1-ol
SMILESCCCNCC1(O)CCCCC1
InChIInChI=1S/C10H21NO/c1-2-8-11-9-10(12)6-4-3-5-7-10/h11-12H,2-9H2,1H3
InChIKeyALBKJOZTXLDHQA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds4

About 1-(propylaminomethyl)cyclohexan-1-ol

1-(propylaminomethyl)cyclohexan-1-ol (PubChem CID 60902090) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(propylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(propylaminomethyl)cyclohexan-1-ol
PubChem CID60902090
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(propylaminomethyl)cyclohexan-1-ol
SMILESCCCNCC1(O)CCCCC1
InChIInChI=1S/C10H21NO/c1-2-8-11-9-10(12)6-4-3-5-7-10/h11-12H,2-9H2,1H3
InChIKeyALBKJOZTXLDHQA-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
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 1-(propylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 1-(propylaminomethyl)cyclohexan-1-ol (CID 60902090) is 1-(propylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(propylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(propylaminomethyl)cyclohexan-1-ol is CCCNCC1(O)CCCCC1.
What is the InChIKey of 1-(propylaminomethyl)cyclohexan-1-ol?
The InChIKey is ALBKJOZTXLDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-8-11-9-10(12)6-4-3-5-7-10/h11-12H,2-9H2,1H3.
What are the key properties of 1-(propylaminomethyl)cyclohexan-1-ol?
1-(propylaminomethyl)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 60902090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).