2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol

C17H36N2O — CID 81418915

IUPAC2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCCCN(C)C1CCCCC1
InChIInChI=1S/C17H36N2O/c1-4-17(5-2,15-20)14-18-12-9-13-19(3)16-10-7-6-8-11-16/h16,18,20H,4-15H2,1-3H3
InChIKeyQHWDKFFUAXKZOG-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds10

About 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol

2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 81418915) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
PubChem CID81418915
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCCCN(C)C1CCCCC1
InChIInChI=1S/C17H36N2O/c1-4-17(5-2,15-20)14-18-12-9-13-19(3)16-10-7-6-8-11-16/h16,18,20H,4-15H2,1-3H3
InChIKeyQHWDKFFUAXKZOG-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 55195594
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107131892
2-ethyl-2-[[3-(N-methylanilino)propylamino]methyl]butan-1-ol
CID 81410876
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol (CID 81418915) is 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCCCN(C)C1CCCCC1.
What is the InChIKey of 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is QHWDKFFUAXKZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-17(5-2,15-20)14-18-12-9-13-19(3)16-10-7-6-8-11-16/h16,18,20H,4-15H2,1-3H3.
What are the key properties of 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol?
2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81418915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).