N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene

C16H25N3 — CID 142002633

IUPACN-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene
SMILESC=C.CN(CCCN1C=CNC1)Cc1ccccc1
InChIInChI=1S/C14H21N3.C2H4/c1-16(12-14-6-3-2-4-7-14)9-5-10-17-11-8-15-13-17;1-2/h2-4,6-8,11,15H,5,9-10,12-13H2,1H3;1-2H2
InChIKeySXMBJWHRVKRPLI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.64
Rot. Bonds6

About N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene

N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene (PubChem CID 142002633) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene.

Molecular Properties

Compound NameN-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene
PubChem CID142002633
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene
SMILESC=C.CN(CCCN1C=CNC1)Cc1ccccc1
InChIInChI=1S/C14H21N3.C2H4/c1-16(12-14-6-3-2-4-7-14)9-5-10-17-11-8-15-13-17;1-2/h2-4,6-8,11,15H,5,9-10,12-13H2,1H3;1-2H2
InChIKeySXMBJWHRVKRPLI-UHFFFAOYSA-N
XLogP2.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 61288943
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2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
1-[3-[benzyl(methyl)amino]propyl]-4-iodopyrrole-2-carboxylic acid
CID 114603823
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
CID 100998037
5-[benzyl(methyl)amino]pentanoic acid
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N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine
CID 143113319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene?
The IUPAC name of N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene (CID 142002633) is N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene.
What is the SMILES notation for N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene?
The canonical SMILES for N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene is C=C.CN(CCCN1C=CNC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene?
The InChIKey is SXMBJWHRVKRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.C2H4/c1-16(12-14-6-3-2-4-7-14)9-5-10-17-11-8-15-13-17;1-2/h2-4,6-8,11,15H,5,9-10,12-13H2,1H3;1-2H2.
What are the key properties of N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene?
N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene has a molecular weight of 259.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,2-dihydroimidazol-3-yl)-N-methylpropan-1-amine;ethene is sourced from PubChem (CID 142002633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).