4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol

C14H30N2O — CID 64899882

IUPAC4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)C1CCCCC1
InChIInChI=1S/C14H30N2O/c1-3-10-15-13(9-11-17)12-16(2)14-7-5-4-6-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyDYCFUFOYHARWTH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds8

About 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol

4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol (PubChem CID 64899882) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
PubChem CID64899882
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)C1CCCCC1
InChIInChI=1S/C14H30N2O/c1-3-10-15-13(9-11-17)12-16(2)14-7-5-4-6-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyDYCFUFOYHARWTH-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cycloheptyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897532
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825628
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
CID 79001448
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 55205255
4-[cycloheptyl(methyl)amino]-2-(propylamino)butanenitrile
CID 63027524
4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64898364
4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol
CID 64900556
4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
CID 64897970

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol (CID 64899882) is 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol is CCCNC(CCO)CN(C)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol?
The InChIKey is DYCFUFOYHARWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-10-15-13(9-11-17)12-16(2)14-7-5-4-6-8-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol?
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64899882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).