2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile

C14H20N2 — CID 43274527

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
SMILESCCC(C)N(CC)Cc1ccccc1C#N
InChIInChI=1S/C14H20N2/c1-4-12(3)16(5-2)11-14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,11H2,1-3H3
InChIKeyWLXCPNNKCVYUKA-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.18
Rot. Bonds5

About 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile

2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile (PubChem CID 43274527) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
PubChem CID43274527
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
SMILESCCC(C)N(CC)Cc1ccccc1C#N
InChIInChI=1S/C14H20N2/c1-4-12(3)16(5-2)11-14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,11H2,1-3H3
InChIKeyWLXCPNNKCVYUKA-UHFFFAOYSA-N
XLogP3.18
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-cyanophenyl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 86866924
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
CID 8559770
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
3-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
CID 43274509
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059
2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144410
(2S)-2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 66568262
2-(butan-2-ylsulfonylmethyl)benzonitrile
CID 64691415
2-[[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile
CID 70827313

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile (CID 43274527) is 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile is CCC(C)N(CC)Cc1ccccc1C#N.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile?
The InChIKey is WLXCPNNKCVYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-12(3)16(5-2)11-14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,11H2,1-3H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile?
2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 43274527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).