N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine

C16H24N4 — CID 107365079

IUPACN'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCCn1cncc1CN(CCCN)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-2-20-14-18-11-16(20)13-19(10-6-9-17)12-15-7-4-3-5-8-15/h3-5,7-8,11,14H,2,6,9-10,12-13,17H2,1H3
InChIKeyHRVXHAOETNASCH-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.25
Rot. Bonds8

About N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine

N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 107365079) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine
PubChem CID107365079
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCCn1cncc1CN(CCCN)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-2-20-14-18-11-16(20)13-19(10-6-9-17)12-15-7-4-3-5-8-15/h3-5,7-8,11,14H,2,6,9-10,12-13,17H2,1H3
InChIKeyHRVXHAOETNASCH-UHFFFAOYSA-N
XLogP2.25
TPSA47.08 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 107364942
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
2-[(3-ethylimidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 66153386
4-[[5-[[butyl-[(4-phenoxyphenyl)methyl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 19707482
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine
CID 107367343
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine
CID 124731647
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N'-benzyl-N'-(3-phenylprop-2-ynyl)propane-1,3-diamine
CID 107366878

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine (CID 107365079) is N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine is CCn1cncc1CN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is HRVXHAOETNASCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-20-14-18-11-16(20)13-19(10-6-9-17)12-15-7-4-3-5-8-15/h3-5,7-8,11,14H,2,6,9-10,12-13,17H2,1H3.
What are the key properties of N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine?
N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107365079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).