2-[(dibenzylamino)methyl]-3-methylbutanenitrile

C20H24N2 — CID 131059101

IUPAC2-[(dibenzylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2/c1-17(2)20(13-21)16-22(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,14-16H2,1-2H3
InChIKeyYQHWSIRDLBIXON-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.48
Rot. Bonds7

About 2-[(dibenzylamino)methyl]-3-methylbutanenitrile

2-[(dibenzylamino)methyl]-3-methylbutanenitrile (PubChem CID 131059101) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(dibenzylamino)methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[(dibenzylamino)methyl]-3-methylbutanenitrile
PubChem CID131059101
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-[(dibenzylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2/c1-17(2)20(13-21)16-22(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,14-16H2,1-2H3
InChIKeyYQHWSIRDLBIXON-UHFFFAOYSA-N
XLogP4.48
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
2-benzyl-3-methylbutanenitrile;N-methylmethanamine
CID 21389679
3-bromo-4-(dibenzylamino)butanenitrile
CID 16731422
3-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]butanenitrile
CID 115254538
4-bromo-5-(dibenzylamino)pentanenitrile
CID 23583442
1-(dibenzylamino)propane-2-sulfonic acid
CID 86077306
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294
N,N-dibenzylpropan-1-amine
CID 10840212
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
benzyl(cyano)cyanamide
CID 151460477

Frequently Asked Questions

What is the IUPAC name of 2-[(dibenzylamino)methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[(dibenzylamino)methyl]-3-methylbutanenitrile (CID 131059101) is 2-[(dibenzylamino)methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[(dibenzylamino)methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[(dibenzylamino)methyl]-3-methylbutanenitrile is CC(C)C(C#N)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[(dibenzylamino)methyl]-3-methylbutanenitrile?
The InChIKey is YQHWSIRDLBIXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-17(2)20(13-21)16-22(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,14-16H2,1-2H3.
What are the key properties of 2-[(dibenzylamino)methyl]-3-methylbutanenitrile?
2-[(dibenzylamino)methyl]-3-methylbutanenitrile has a molecular weight of 292.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibenzylamino)methyl]-3-methylbutanenitrile is sourced from PubChem (CID 131059101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).