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

C16H27N3 — CID 79319905

IUPAC1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
SMILESCN(CC1CCCN1C)CC(C)(N)c1ccccc1
InChIInChI=1S/C16H27N3/c1-16(17,14-8-5-4-6-9-14)13-18(2)12-15-10-7-11-19(15)3/h4-6,8-9,15H,7,10-13,17H2,1-3H3
InChIKeyOEWOSYGJMWENSR-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.89
Rot. Bonds5

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

1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine (PubChem CID 79319905) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
PubChem CID79319905
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
SMILESCN(CC1CCCN1C)CC(C)(N)c1ccccc1
InChIInChI=1S/C16H27N3/c1-16(17,14-8-5-4-6-9-14)13-18(2)12-15-10-7-11-19(15)3/h4-6,8-9,15H,7,10-13,17H2,1-3H3
InChIKeyOEWOSYGJMWENSR-UHFFFAOYSA-N
XLogP1.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropanal
CID 79313119
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine (CID 79319905) is 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine is CN(CC1CCCN1C)CC(C)(N)c1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine?
The InChIKey is OEWOSYGJMWENSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(17,14-8-5-4-6-9-14)13-18(2)12-15-10-7-11-19(15)3/h4-6,8-9,15H,7,10-13,17H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine?
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 79319905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).