1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C19H38N2 — CID 79058669

IUPAC1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCCNC(C1CCCC(CC)C1)C1(N(C)C)CCCC1
InChIInChI=1S/C19H38N2/c1-5-14-20-18(17-11-9-10-16(6-2)15-17)19(21(3)4)12-7-8-13-19/h16-18,20H,5-15H2,1-4H3
InChIKeyLJSUEGMGQRFCCB-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79058669) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79058669
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCCNC(C1CCCC(CC)C1)C1(N(C)C)CCCC1
InChIInChI=1S/C19H38N2/c1-5-14-20-18(17-11-9-10-16(6-2)15-17)19(21(3)4)12-7-8-13-19/h16-18,20H,5-15H2,1-4H3
InChIKeyLJSUEGMGQRFCCB-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(4-methylcyclohexyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070623
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
CID 79066378
N-[(3-ethylcyclohexyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 104992419
1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074927
N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
CID 79495323
1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066377
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79177299
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 79058669) is 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CCCNC(C1CCCC(CC)C1)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is LJSUEGMGQRFCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-14-20-18(17-11-9-10-16(6-2)15-17)19(21(3)4)12-7-8-13-19/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79058669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).