4-[cyclohexylmethyl(propyl)amino]butan-1-ol

C14H29NO — CID 110931716

IUPAC4-[cyclohexylmethyl(propyl)amino]butan-1-ol
SMILESCCCN(CCCCO)CC1CCCCC1
InChIInChI=1S/C14H29NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h14,16H,2-13H2,1H3
InChIKeyRAXPCGWAUQVOGP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds8

About 4-[cyclohexylmethyl(propyl)amino]butan-1-ol

4-[cyclohexylmethyl(propyl)amino]butan-1-ol (PubChem CID 110931716) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(propyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclohexylmethyl(propyl)amino]butan-1-ol
PubChem CID110931716
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-[cyclohexylmethyl(propyl)amino]butan-1-ol
SMILESCCCN(CCCCO)CC1CCCCC1
InChIInChI=1S/C14H29NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h14,16H,2-13H2,1H3
InChIKeyRAXPCGWAUQVOGP-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[cyclohexylmethyl(propyl)amino]butan-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

Related Compounds

N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
3-[cyclobutylmethyl(2-hydroxyethyl)amino]propan-1-ol
CID 68639029
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
10-cyclohexyl-N,N-dipropyldecan-1-amine;hydrochloride
CID 173360948
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylmethyl(propyl)amino]butan-1-ol?
The IUPAC name of 4-[cyclohexylmethyl(propyl)amino]butan-1-ol (CID 110931716) is 4-[cyclohexylmethyl(propyl)amino]butan-1-ol.
What is the SMILES notation for 4-[cyclohexylmethyl(propyl)amino]butan-1-ol?
The canonical SMILES for 4-[cyclohexylmethyl(propyl)amino]butan-1-ol is CCCN(CCCCO)CC1CCCCC1.
What is the InChIKey of 4-[cyclohexylmethyl(propyl)amino]butan-1-ol?
The InChIKey is RAXPCGWAUQVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h14,16H,2-13H2,1H3.
What are the key properties of 4-[cyclohexylmethyl(propyl)amino]butan-1-ol?
4-[cyclohexylmethyl(propyl)amino]butan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(propyl)amino]butan-1-ol is sourced from PubChem (CID 110931716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).