2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile

C16H23N3 — CID 116692435

IUPAC2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
SMILESCC(C1CC1)N(C)CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(14-8-9-14)19(2)11-10-16(18,12-17)15-6-4-3-5-7-15/h3-7,13-14H,8-11,18H2,1-2H3
InChIKeyJPBQBIZBMKKVIJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.48
Rot. Bonds6

About 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile

2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile (PubChem CID 116692435) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
PubChem CID116692435
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
SMILESCC(C1CC1)N(C)CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(14-8-9-14)19(2)11-10-16(18,12-17)15-6-4-3-5-7-15/h3-7,13-14H,8-11,18H2,1-2H3
InChIKeyJPBQBIZBMKKVIJ-UHFFFAOYSA-N
XLogP2.48
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
CID 116692380
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
CID 116692620
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanenitrile
CID 63914612
3-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-phenylpropan-1-ol
CID 62271507
2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
CID 114157788

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile (CID 116692435) is 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile is CC(C1CC1)N(C)CCC(N)(C#N)c1ccccc1.
What is the InChIKey of 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile?
The InChIKey is JPBQBIZBMKKVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(14-8-9-14)19(2)11-10-16(18,12-17)15-6-4-3-5-7-15/h3-7,13-14H,8-11,18H2,1-2H3.
What are the key properties of 2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile?
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile has a molecular weight of 257.38 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-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile is sourced from PubChem (CID 116692435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).