1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine

C24H50N2 — CID 118885088

IUPAC1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine
SMILESCCCCC(C1CCC(C(CCC)N(C)CCCC)CC1)N(C)CCC
InChIInChI=1S/C24H50N2/c1-7-11-14-24(25(5)19-10-4)22-17-15-21(16-18-22)23(13-9-3)26(6)20-12-8-2/h21-24H,7-20H2,1-6H3
InChIKeyXSHJRSBYBZRAII-UHFFFAOYSA-N
MW366.68 g/mol
LogP6.59
Rot. Bonds14

About 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine

1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine (PubChem CID 118885088) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine
PubChem CID118885088
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine
SMILESCCCCC(C1CCC(C(CCC)N(C)CCCC)CC1)N(C)CCC
InChIInChI=1S/C24H50N2/c1-7-11-14-24(25(5)19-10-4)22-17-15-21(16-18-22)23(13-9-3)26(6)20-12-8-2/h21-24H,7-20H2,1-6H3
InChIKeyXSHJRSBYBZRAII-UHFFFAOYSA-N
XLogP6.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
CID 62071758
N-butyl-N-methylnonan-5-amine
CID 175231488
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
CID 65067773
1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881
4-(methylsulfanylmethyl)octane
CID 154986903
N-(2-propylhexyl)thiolan-3-amine
CID 115727503
2-cyclopropyl-5-ethylnonan-3-one
CID 114963721
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
3-ethyl-1-(4-methylcyclohexyl)heptan-1-ol
CID 63410678

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine (CID 118885088) is 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine is CCCCC(C1CCC(C(CCC)N(C)CCCC)CC1)N(C)CCC.
What is the InChIKey of 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine?
The InChIKey is XSHJRSBYBZRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-7-11-14-24(25(5)19-10-4)22-17-15-21(16-18-22)23(13-9-3)26(6)20-12-8-2/h21-24H,7-20H2,1-6H3.
What are the key properties of 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine?
1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine has a molecular weight of 366.68 g/mol, XLogP of 6.59, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 118885088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).