1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine

C15H22N4 — CID 63027015

IUPAC1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
SMILESCN(Cc1nccn1C)CC(N)Cc1ccccc1
InChIInChI=1S/C15H22N4/c1-18(12-15-17-8-9-19(15)2)11-14(16)10-13-6-4-3-5-7-13/h3-9,14H,10-12,16H2,1-2H3
InChIKeyCBFHQUKNMTXOGJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.42
Rot. Bonds6

About 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine

1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine (PubChem CID 63027015) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
PubChem CID63027015
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
SMILESCN(Cc1nccn1C)CC(N)Cc1ccccc1
InChIInChI=1S/C15H22N4/c1-18(12-15-17-8-9-19(15)2)11-14(16)10-13-6-4-3-5-7-13/h3-9,14H,10-12,16H2,1-2H3
InChIKeyCBFHQUKNMTXOGJ-UHFFFAOYSA-N
XLogP1.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 107520978
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine (CID 63027015) is 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine is CN(Cc1nccn1C)CC(N)Cc1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine?
The InChIKey is CBFHQUKNMTXOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(12-15-17-8-9-19(15)2)11-14(16)10-13-6-4-3-5-7-13/h3-9,14H,10-12,16H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine?
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 63027015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).