2-amino-3-(benzylamino)butanedinitrile

C11H12N4 — CID 130279575

IUPAC2-amino-3-(benzylamino)butanedinitrile
SMILESN#CC(N)C(C#N)NCc1ccccc1
InChIInChI=1S/C11H12N4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-11,15H,8,14H2
InChIKeyYGZLAJRQIHCMNA-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-3-(benzylamino)butanedinitrile

2-amino-3-(benzylamino)butanedinitrile (PubChem CID 130279575) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-amino-3-(benzylamino)butanedinitrile.

Molecular Properties

Compound Name2-amino-3-(benzylamino)butanedinitrile
PubChem CID130279575
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name2-amino-3-(benzylamino)butanedinitrile
SMILESN#CC(N)C(C#N)NCc1ccccc1
InChIInChI=1S/C11H12N4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-11,15H,8,14H2
InChIKeyYGZLAJRQIHCMNA-UHFFFAOYSA-N
XLogP0.52
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzylamino)-3-ethylpentanenitrile
CID 100926480
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
(2R)-2-(benzylamino)propanenitrile
CID 28702462
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile
CID 11825219
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
3-(benzylamino)-3-cyano-N-cyclopropyl-2-hydroxypropanamide
CID 134356407
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
1-N'-benzylprop-2-ene-1,1-diamine
CID 67413433
2-amino-2-(benzylamino)acetic acid
CID 142782950

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(benzylamino)butanedinitrile?
The IUPAC name of 2-amino-3-(benzylamino)butanedinitrile (CID 130279575) is 2-amino-3-(benzylamino)butanedinitrile.
What is the SMILES notation for 2-amino-3-(benzylamino)butanedinitrile?
The canonical SMILES for 2-amino-3-(benzylamino)butanedinitrile is N#CC(N)C(C#N)NCc1ccccc1.
What is the InChIKey of 2-amino-3-(benzylamino)butanedinitrile?
The InChIKey is YGZLAJRQIHCMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-11,15H,8,14H2.
What are the key properties of 2-amino-3-(benzylamino)butanedinitrile?
2-amino-3-(benzylamino)butanedinitrile has a molecular weight of 200.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(benzylamino)butanedinitrile is sourced from PubChem (CID 130279575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).