3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile

C15H20N2 — CID 163244356

IUPAC3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile
SMILESC[C@@H](NC(C#N)CC1(C)CC1)c1ccccc1
InChIInChI=1S/C15H20N2/c1-12(13-6-4-3-5-7-13)17-14(11-16)10-15(2)8-9-15/h3-7,12,14,17H,8-10H2,1-2H3/t12-,14?/m1/s1
InChIKeyZGTRECMOFISXDO-PUODRLBUSA-N
MW228.34 g/mol
LogP3.42
Rot. Bonds5

About 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile

3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile (PubChem CID 163244356) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile
PubChem CID163244356
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile
SMILESC[C@@H](NC(C#N)CC1(C)CC1)c1ccccc1
InChIInChI=1S/C15H20N2/c1-12(13-6-4-3-5-7-13)17-14(11-16)10-15(2)8-9-15/h3-7,12,14,17H,8-10H2,1-2H3/t12-,14?/m1/s1
InChIKeyZGTRECMOFISXDO-PUODRLBUSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenylethylamino)-3-[1-(trifluoromethyl)cyclopropyl]propanenitrile
CID 170169174
4,4,4-trifluoro-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 67579620
3-phenyl-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 11747074
3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 11265207
2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile
CID 167012631
(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-[[(1S)-1-phenylethyl]amino]acetonitrile
CID 69462298
(2S)-3,3-dimethyl-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 101095411
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanenitrile
CID 81356979
(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
CID 135070081
(2S,3S,4S)-3,4-dimethyl-2-[[(1S)-1-phenylethyl]amino]hexanenitrile
CID 167570307
3-(1-phenylethylamino)pent-4-enenitrile
CID 67324977
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile?
The IUPAC name of 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile (CID 163244356) is 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile.
What is the SMILES notation for 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile?
The canonical SMILES for 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile is C[C@@H](NC(C#N)CC1(C)CC1)c1ccccc1.
What is the InChIKey of 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile?
The InChIKey is ZGTRECMOFISXDO-PUODRLBUSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(13-6-4-3-5-7-13)17-14(11-16)10-15(2)8-9-15/h3-7,12,14,17H,8-10H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile?
3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-2-[[(1R)-1-phenylethyl]amino]propanenitrile is sourced from PubChem (CID 163244356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).