2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile

C15H23N3 — CID 116692380

IUPAC2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
SMILESCCN(CCC(N)(C#N)c1ccccc1)C(C)C
InChIInChI=1S/C15H23N3/c1-4-18(13(2)3)11-10-15(17,12-16)14-8-6-5-7-9-14/h5-9,13H,4,10-11,17H2,1-3H3
InChIKeyXPPIAWLKEANQHK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.48
Rot. Bonds6

About 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile

2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile (PubChem CID 116692380) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
PubChem CID116692380
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
SMILESCCN(CCC(N)(C#N)c1ccccc1)C(C)C
InChIInChI=1S/C15H23N3/c1-4-18(13(2)3)11-10-15(17,12-16)14-8-6-5-7-9-14/h5-9,13H,4,10-11,17H2,1-3H3
InChIKeyXPPIAWLKEANQHK-UHFFFAOYSA-N
XLogP2.48
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
CID 116692620
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-amino-4-(2-methylpentoxy)-2-phenylbutanenitrile
CID 103284840
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride
CID 3032221
2-amino-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylbutanenitrile
CID 116693415
2-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-phenylbutanenitrile
CID 116692734
4-[(2-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylbutanenitrile
CID 65252977
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile (CID 116692380) is 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile is CCN(CCC(N)(C#N)c1ccccc1)C(C)C.
What is the InChIKey of 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile?
The InChIKey is XPPIAWLKEANQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-18(13(2)3)11-10-15(17,12-16)14-8-6-5-7-9-14/h5-9,13H,4,10-11,17H2,1-3H3.
What are the key properties of 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile?
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile has a molecular weight of 245.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile is sourced from PubChem (CID 116692380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).