N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine

C18H31N3 — CID 79310034

IUPACN,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(C)CC1CCCN1C)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(14-19-2,16-9-6-5-7-10-16)15-20(3)13-17-11-8-12-21(17)4/h5-7,9-10,17,19H,8,11-15H2,1-4H3
InChIKeyICFQWXHLZJGZCM-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.19
Rot. Bonds7

About N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine

N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine (PubChem CID 79310034) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
PubChem CID79310034
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(C)CC1CCCN1C)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(14-19-2,16-9-6-5-7-10-16)15-20(3)13-17-11-8-12-21(17)4/h5-7,9-10,17,19H,8,11-15H2,1-4H3
InChIKeyICFQWXHLZJGZCM-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
CID 79319905
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropanal
CID 79313119
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
N,N'-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 79313149
N-(cyclobutylmethyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62862088
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65324595
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 62657745
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62262722

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine (CID 79310034) is N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine is CNCC(C)(CN(C)CC1CCCN1C)c1ccccc1.
What is the InChIKey of N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine?
The InChIKey is ICFQWXHLZJGZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(14-19-2,16-9-6-5-7-10-16)15-20(3)13-17-11-8-12-21(17)4/h5-7,9-10,17,19H,8,11-15H2,1-4H3.
What are the key properties of N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine?
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 79310034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).