4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol

C15H32N2O — CID 64798399

IUPAC4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(CC)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-3-11-16-14(13-18)10-12-17(4-2)15-8-6-5-7-9-15/h14-16,18H,3-13H2,1-2H3
InChIKeyVIIARRPJGCJAIX-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.39
Rot. Bonds9

About 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol

4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol (PubChem CID 64798399) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
PubChem CID64798399
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(CC)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-3-11-16-14(13-18)10-12-17(4-2)15-8-6-5-7-9-15/h14-16,18H,3-13H2,1-2H3
InChIKeyVIIARRPJGCJAIX-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
CID 64795522
4-[cyclohexylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64827016
4-[cyclobutylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64787236
1-N-cyclopentyl-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 62038216
4-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)butan-1-ol
CID 64827364
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
CID 64787609
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
CID 64899882
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505386
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
CID 79001448
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol (CID 64798399) is 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol is CCCNC(CO)CCN(CC)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol?
The InChIKey is VIIARRPJGCJAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-11-16-14(13-18)10-12-17(4-2)15-8-6-5-7-9-15/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol?
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64798399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).