N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine

C16H24N4 — CID 66147325

IUPACN-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine
SMILESCNCc1cncn1CCCN(C)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-17-11-16-12-18-14-20(16)10-6-9-19(2)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17H,6,9-11,13H2,1-2H3
InChIKeyJMNFPOZHSKPVPW-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.12
Rot. Bonds8

About N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine

N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine (PubChem CID 66147325) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine
PubChem CID66147325
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine
SMILESCNCc1cncn1CCCN(C)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-17-11-16-12-18-14-20(16)10-6-9-19(2)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17H,6,9-11,13H2,1-2H3
InChIKeyJMNFPOZHSKPVPW-UHFFFAOYSA-N
XLogP2.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-2-[5-(methylaminomethyl)imidazol-1-yl]ethanamine
CID 66149923
[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
CID 66149149
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
1-[3-[benzyl(methyl)amino]propyl]-N-ethylimidazol-2-amine
CID 106557519
N-benzyl-3-(2,5-dimethylpyrrol-1-yl)-N-methylpropan-1-amine
CID 43510639
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
4-[(dimethylamino)methyl]-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130355
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine (CID 66147325) is N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine is CNCc1cncn1CCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine?
The InChIKey is JMNFPOZHSKPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-17-11-16-12-18-14-20(16)10-6-9-19(2)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17H,6,9-11,13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine?
N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 66147325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).