N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine

C13H21N3 — CID 70389657

IUPACN'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
SMILESC=CN(CCNCCN)Cc1ccccc1
InChIInChI=1S/C13H21N3/c1-2-16(11-10-15-9-8-14)12-13-6-4-3-5-7-13/h2-7,15H,1,8-12,14H2
InChIKeyJKKWWVBUIPNOSW-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.18
Rot. Bonds8

About N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine

N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 70389657) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
PubChem CID70389657
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
SMILESC=CN(CCNCCN)Cc1ccccc1
InChIInChI=1S/C13H21N3/c1-2-16(11-10-15-9-8-14)12-13-6-4-3-5-7-13/h2-7,15H,1,8-12,14H2
InChIKeyJKKWWVBUIPNOSW-UHFFFAOYSA-N
XLogP1.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
CID 141259839
N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161
N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine
CID 91052537
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol
CID 174815417
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate
CID 154000557
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
acetic acid;N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine;gadolinium
CID 57348310
N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)
CID 142734847
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467

Frequently Asked Questions

What is the IUPAC name of N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine (CID 70389657) is N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine is C=CN(CCNCCN)Cc1ccccc1.
What is the InChIKey of N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is JKKWWVBUIPNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16(11-10-15-9-8-14)12-13-6-4-3-5-7-13/h2-7,15H,1,8-12,14H2.
What are the key properties of N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine?
N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 70389657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).