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

C17H29N3 — CID 63274527

IUPACN',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCN1CCC(CN(C)CC(C)(CN)c2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-17(13-18,16-7-5-4-6-8-16)14-20(3)12-15-9-10-19(2)11-15/h4-8,15H,9-14,18H2,1-3H3
InChIKeyUGJVOVCFNAFKPY-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.79
Rot. Bonds6

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

N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine (PubChem CID 63274527) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine
PubChem CID63274527
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCN1CCC(CN(C)CC(C)(CN)c2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-17(13-18,16-7-5-4-6-8-16)14-20(3)12-15-9-10-19(2)11-15/h4-8,15H,9-14,18H2,1-3H3
InChIKeyUGJVOVCFNAFKPY-UHFFFAOYSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-2-phenylpropane-1,3-diamine
CID 64522840
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 114831398
2-[(3-amino-2-methyl-2-phenylpropyl)-methylamino]ethanol
CID 62256882
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanal
CID 63274650
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine
CID 63275813
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828
N-(cyclobutylmethyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62862088

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine (CID 63274527) is N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine is CN1CCC(CN(C)CC(C)(CN)c2ccccc2)C1.
What is the InChIKey of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine?
The InChIKey is UGJVOVCFNAFKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(13-18,16-7-5-4-6-8-16)14-20(3)12-15-9-10-19(2)11-15/h4-8,15H,9-14,18H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine?
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 63274527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).