1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol

C13H28N2O — CID 117039414

IUPAC1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol
SMILESCCCCCN(C)C1CCC(O)(CN)CC1
InChIInChI=1S/C13H28N2O/c1-3-4-5-10-15(2)12-6-8-13(16,11-14)9-7-12/h12,16H,3-11,14H2,1-2H3
InChIKeyDJDJSXQWQYSDCI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.74
Rot. Bonds6

About 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol

1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol (PubChem CID 117039414) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol
PubChem CID117039414
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol
SMILESCCCCCN(C)C1CCC(O)(CN)CC1
InChIInChI=1S/C13H28N2O/c1-3-4-5-10-15(2)12-6-8-13(16,11-14)9-7-12/h12,16H,3-11,14H2,1-2H3
InChIKeyDJDJSXQWQYSDCI-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol (CID 117039414) is 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol is CCCCCN(C)C1CCC(O)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol?
The InChIKey is DJDJSXQWQYSDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-4-5-10-15(2)12-6-8-13(16,11-14)9-7-12/h12,16H,3-11,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol?
1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 117039414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).