5-amino-2-phenyl-2-propan-2-ylpentanenitrile

C14H20N2 — CID 22443873

IUPAC5-amino-2-phenyl-2-propan-2-ylpentanenitrile
SMILESCC(C)C(C#N)(CCCN)c1ccccc1
InChIInChI=1S/C14H20N2/c1-12(2)14(11-16,9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10,15H2,1-2H3
InChIKeyBORYHCWWFTVAJN-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.84
Rot. Bonds5

About 5-amino-2-phenyl-2-propan-2-ylpentanenitrile

5-amino-2-phenyl-2-propan-2-ylpentanenitrile (PubChem CID 22443873) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-amino-2-phenyl-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name5-amino-2-phenyl-2-propan-2-ylpentanenitrile
PubChem CID22443873
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-amino-2-phenyl-2-propan-2-ylpentanenitrile
SMILESCC(C)C(C#N)(CCCN)c1ccccc1
InChIInChI=1S/C14H20N2/c1-12(2)14(11-16,9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10,15H2,1-2H3
InChIKeyBORYHCWWFTVAJN-UHFFFAOYSA-N
XLogP2.84
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile
CID 129363501
7-oxo-2-phenyl-2-propan-2-ylheptanenitrile
CID 22443910
(3-cyano-4-methyl-3-phenylpentyl)boronic acid
CID 154145490
(2R,5R)-5,6-dihydroxy-2-phenyl-2-propan-2-ylhexanenitrile
CID 10800518
(2S)-5-amino-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
CID 91810608
5-[benzyl(methyl)amino]-2-(4-bromophenyl)-2-propan-2-ylpentanenitrile
CID 21181634
5-[2-phenylethyl(propyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pentanenitrile
CID 21181067
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile;hydrochloride
CID 22718242
5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile
CID 20800768
5-[3-(3,5-dimethoxyphenyl)propylamino]-2-phenyl-2-propan-2-ylpentanenitrile;sulfamic acid
CID 67861543
2-[4-(4-cyano-5-methyl-4-phenylhexyl)piperazin-1-yl]ethyl (4-fluorophenyl)sulfanylformate
CID 22718374
CID 163654273
CID 163654273

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyl-2-propan-2-ylpentanenitrile?
The IUPAC name of 5-amino-2-phenyl-2-propan-2-ylpentanenitrile (CID 22443873) is 5-amino-2-phenyl-2-propan-2-ylpentanenitrile.
What is the SMILES notation for 5-amino-2-phenyl-2-propan-2-ylpentanenitrile?
The canonical SMILES for 5-amino-2-phenyl-2-propan-2-ylpentanenitrile is CC(C)C(C#N)(CCCN)c1ccccc1.
What is the InChIKey of 5-amino-2-phenyl-2-propan-2-ylpentanenitrile?
The InChIKey is BORYHCWWFTVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12(2)14(11-16,9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10,15H2,1-2H3.
What are the key properties of 5-amino-2-phenyl-2-propan-2-ylpentanenitrile?
5-amino-2-phenyl-2-propan-2-ylpentanenitrile has a molecular weight of 216.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyl-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 22443873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).