1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine

C18H31N3 — CID 79304051

IUPAC1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C18H31N3/c1-5-21-12-8-10-16(21)13-20(4)18(15(3)19)17-11-7-6-9-14(17)2/h6-7,9,11,15-16,18H,5,8,10,12-13,19H2,1-4H3
InChIKeyPMNMINSXGDTUFV-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.80
Rot. Bonds6

About 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine

1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine (PubChem CID 79304051) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
PubChem CID79304051
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C18H31N3/c1-5-21-12-8-10-16(21)13-20(4)18(15(3)19)17-11-7-6-9-14(17)2/h6-7,9,11,15-16,18H,5,8,10,12-13,19H2,1-4H3
InChIKeyPMNMINSXGDTUFV-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334
1-(2-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79304236
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319401
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 79312886
1-(2,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308718
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
1-(5-chlorothiophen-2-yl)-1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methylbutane-1,2-diamine
CID 79303566
1-N-(cyclopropylmethyl)-1-N-methyl-1-(2-methylphenyl)butane-1,2-diamine
CID 55017993
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 79304465
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine (CID 79304051) is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine is CCN1CCCC1CN(C)C(c1ccccc1C)C(C)N.
What is the InChIKey of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine?
The InChIKey is PMNMINSXGDTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21-12-8-10-16(21)13-20(4)18(15(3)19)17-11-7-6-9-14(17)2/h6-7,9,11,15-16,18H,5,8,10,12-13,19H2,1-4H3.
What are the key properties of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine?
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-1-(2-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 79304051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).