[1-(9-aminoundecyl)cyclohexyl]methanol

C18H37NO — CID 12941763

IUPAC[1-(9-aminoundecyl)cyclohexyl]methanol
SMILESCCC(N)CCCCCCCCC1(CO)CCCCC1
InChIInChI=1S/C18H37NO/c1-2-17(19)12-8-5-3-4-6-9-13-18(16-20)14-10-7-11-15-18/h17,20H,2-16,19H2,1H3
InChIKeyQQAKTMARNMPDQR-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.79
Rot. Bonds11

About [1-(9-aminoundecyl)cyclohexyl]methanol

[1-(9-aminoundecyl)cyclohexyl]methanol (PubChem CID 12941763) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is [1-(9-aminoundecyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(9-aminoundecyl)cyclohexyl]methanol
PubChem CID12941763
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name[1-(9-aminoundecyl)cyclohexyl]methanol
SMILESCCC(N)CCCCCCCCC1(CO)CCCCC1
InChIInChI=1S/C18H37NO/c1-2-17(19)12-8-5-3-4-6-9-13-18(16-20)14-10-7-11-15-18/h17,20H,2-16,19H2,1H3
InChIKeyQQAKTMARNMPDQR-UHFFFAOYSA-N
XLogP4.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.79
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-(9-aminoundecyl)cyclohexyl]methanol?
The IUPAC name of [1-(9-aminoundecyl)cyclohexyl]methanol (CID 12941763) is [1-(9-aminoundecyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(9-aminoundecyl)cyclohexyl]methanol?
The canonical SMILES for [1-(9-aminoundecyl)cyclohexyl]methanol is CCC(N)CCCCCCCCC1(CO)CCCCC1.
What is the InChIKey of [1-(9-aminoundecyl)cyclohexyl]methanol?
The InChIKey is QQAKTMARNMPDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-17(19)12-8-5-3-4-6-9-13-18(16-20)14-10-7-11-15-18/h17,20H,2-16,19H2,1H3.
What are the key properties of [1-(9-aminoundecyl)cyclohexyl]methanol?
[1-(9-aminoundecyl)cyclohexyl]methanol has a molecular weight of 283.50 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-aminoundecyl)cyclohexyl]methanol is sourced from PubChem (CID 12941763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).