N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine

C15H22N2 — CID 89343880

IUPACN-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine
SMILESC=CN(C=C(C)C)CCNCc1ccccc1
InChIInChI=1S/C15H22N2/c1-4-17(13-14(2)3)11-10-16-12-15-8-6-5-7-9-15/h4-9,13,16H,1,10-12H2,2-3H3
InChIKeyJXGBINMASPZXDV-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds7

About N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine

N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine (PubChem CID 89343880) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine
PubChem CID89343880
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine
SMILESC=CN(C=C(C)C)CCNCc1ccccc1
InChIInChI=1S/C15H22N2/c1-4-17(13-14(2)3)11-10-16-12-15-8-6-5-7-9-15/h4-9,13,16H,1,10-12H2,2-3H3
InChIKeyJXGBINMASPZXDV-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(benzylamino)-2-methylbutan-2-ol
CID 21242176
N-benzyl-3-methylbut-2-en-1-amine;hydrobromide
CID 173401181
N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62561843
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726698
(E)-6-(benzylamino)hex-3-en-2-one
CID 14810114
N-benzylethanamine;tris(yttrium)
CID 158198357
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-benzylbutan-1-amine;ethane;ethene
CID 143478756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine (CID 89343880) is N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine is C=CN(C=C(C)C)CCNCc1ccccc1.
What is the InChIKey of N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine?
The InChIKey is JXGBINMASPZXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-17(13-14(2)3)11-10-16-12-15-8-6-5-7-9-15/h4-9,13,16H,1,10-12H2,2-3H3.
What are the key properties of N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine?
N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine is sourced from PubChem (CID 89343880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).