2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile

C16H23N3O — CID 116692499

IUPAC2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
SMILESCOCCN(CCC(N)(C#N)c1ccccc1)C1CC1
InChIInChI=1S/C16H23N3O/c1-20-12-11-19(15-7-8-15)10-9-16(18,13-17)14-5-3-2-4-6-14/h2-6,15H,7-12,18H2,1H3
InChIKeyNNVMFGZKIZVNNL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds8

About 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile

2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile (PubChem CID 116692499) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
PubChem CID116692499
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
SMILESCOCCN(CCC(N)(C#N)c1ccccc1)C1CC1
InChIInChI=1S/C16H23N3O/c1-20-12-11-19(15-7-8-15)10-9-16(18,13-17)14-5-3-2-4-6-14/h2-6,15H,7-12,18H2,1H3
InChIKeyNNVMFGZKIZVNNL-UHFFFAOYSA-N
XLogP1.87
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
CID 114157788
2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
CID 63912909
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
CID 116692620
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
CID 116692380
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile
CID 116692825
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
2-amino-4-(2-methyloxolan-3-yl)sulfanyl-2-phenylbutanenitrile
CID 107754807

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile (CID 116692499) is 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile is COCCN(CCC(N)(C#N)c1ccccc1)C1CC1.
What is the InChIKey of 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
The InChIKey is NNVMFGZKIZVNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-12-11-19(15-7-8-15)10-9-16(18,13-17)14-5-3-2-4-6-14/h2-6,15H,7-12,18H2,1H3.
What are the key properties of 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile has a molecular weight of 273.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile is sourced from PubChem (CID 116692499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).