2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile

C15H20N2 — CID 113430210

IUPAC2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(CNCC1(CC#N)CC1)c1ccccc1
InChIInChI=1S/C15H20N2/c1-13(14-5-3-2-4-6-14)11-17-12-15(7-8-15)9-10-16/h2-6,13,17H,7-9,11-12H2,1H3
InChIKeyCYJGRFHGKLORAB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.07
Rot. Bonds6

About 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 113430210) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile
PubChem CID113430210
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(CNCC1(CC#N)CC1)c1ccccc1
InChIInChI=1S/C15H20N2/c1-13(14-5-3-2-4-6-14)11-17-12-15(7-8-15)9-10-16/h2-6,13,17H,7-9,11-12H2,1H3
InChIKeyCYJGRFHGKLORAB-UHFFFAOYSA-N
XLogP3.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
CID 65498175
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65497124
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81382987
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81401842
2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile
CID 65497530
2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81353637
2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480567
N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine
CID 114100617

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile (CID 113430210) is 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile is CC(CNCC1(CC#N)CC1)c1ccccc1.
What is the InChIKey of 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is CYJGRFHGKLORAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-13(14-5-3-2-4-6-14)11-17-12-15(7-8-15)9-10-16/h2-6,13,17H,7-9,11-12H2,1H3.
What are the key properties of 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 113430210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).