1-(1-aminooctyl)cyclohexan-1-ol

C14H29NO — CID 15638572

IUPAC1-(1-aminooctyl)cyclohexan-1-ol
SMILESCCCCCCCC(N)C1(O)CCCCC1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-7-10-13(15)14(16)11-8-6-9-12-14/h13,16H,2-12,15H2,1H3
InChIKeyVOEBWDPGNHFYMH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.37
Rot. Bonds7

About 1-(1-aminooctyl)cyclohexan-1-ol

1-(1-aminooctyl)cyclohexan-1-ol (PubChem CID 15638572) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-aminooctyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminooctyl)cyclohexan-1-ol
PubChem CID15638572
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-aminooctyl)cyclohexan-1-ol
SMILESCCCCCCCC(N)C1(O)CCCCC1
InChIInChI=1S/C14H29NO/c1-2-3-4-5-7-10-13(15)14(16)11-8-6-9-12-14/h13,16H,2-12,15H2,1H3
InChIKeyVOEBWDPGNHFYMH-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.37
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-(1-aminooctyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-aminooctyl)cyclohexan-1-ol (CID 15638572) is 1-(1-aminooctyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminooctyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-aminooctyl)cyclohexan-1-ol is CCCCCCCC(N)C1(O)CCCCC1.
What is the InChIKey of 1-(1-aminooctyl)cyclohexan-1-ol?
The InChIKey is VOEBWDPGNHFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-7-10-13(15)14(16)11-8-6-9-12-14/h13,16H,2-12,15H2,1H3.
What are the key properties of 1-(1-aminooctyl)cyclohexan-1-ol?
1-(1-aminooctyl)cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminooctyl)cyclohexan-1-ol is sourced from PubChem (CID 15638572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).