1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol

C15H31NO — CID 65208029

IUPAC1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCCCN(CC1(O)CCCCC1)C(C)C
InChIInChI=1S/C15H31NO/c1-4-5-9-12-16(14(2)3)13-15(17)10-7-6-8-11-15/h14,17H,4-13H2,1-3H3
InChIKeyZRIVPQXLONAGDU-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.58
Rot. Bonds7

About 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol

1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65208029) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65208029
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCCCN(CC1(O)CCCCC1)C(C)C
InChIInChI=1S/C15H31NO/c1-4-5-9-12-16(14(2)3)13-15(17)10-7-6-8-11-15/h14,17H,4-13H2,1-3H3
InChIKeyZRIVPQXLONAGDU-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[pentyl(propan-2-yl)amino]methyl]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-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol (CID 65208029) is 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol is CCCCCN(CC1(O)CCCCC1)C(C)C.
What is the InChIKey of 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZRIVPQXLONAGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-9-12-16(14(2)3)13-15(17)10-7-6-8-11-15/h14,17H,4-13H2,1-3H3.
What are the key properties of 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).