N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine

C18H31N3 — CID 63163998

IUPACN,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
SMILESCCCNC(CN1CCC(N(C)C)C1)c1ccc(C)cc1
InChIInChI=1S/C18H31N3/c1-5-11-19-18(16-8-6-15(2)7-9-16)14-21-12-10-17(13-21)20(3)4/h6-9,17-19H,5,10-14H2,1-4H3
InChIKeyNGISQVUSUNHIIK-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.67
Rot. Bonds7

About N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine (PubChem CID 63163998) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
PubChem CID63163998
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
SMILESCCCNC(CN1CCC(N(C)C)C1)c1ccc(C)cc1
InChIInChI=1S/C18H31N3/c1-5-11-19-18(16-8-6-15(2)7-9-16)14-21-12-10-17(13-21)20(3)4/h6-9,17-19H,5,10-14H2,1-4H3
InChIKeyNGISQVUSUNHIIK-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
CID 63164036
N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63484007
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163903
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63470309
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
CID 62618435
4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one
CID 79469491
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine (CID 63163998) is N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine is CCCNC(CN1CCC(N(C)C)C1)c1ccc(C)cc1.
What is the InChIKey of N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is NGISQVUSUNHIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-11-19-18(16-8-6-15(2)7-9-16)14-21-12-10-17(13-21)20(3)4/h6-9,17-19H,5,10-14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63163998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).