1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile

C14H16N2 — CID 146311217

IUPAC1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C14H16N2/c15-9-14(6-7-14)10-16-13-8-12(13)11-4-2-1-3-5-11/h1-5,12-13,16H,6-8,10H2/t12-,13+/m0/s1
InChIKeyZUXVLSLEYXJZOK-QWHCGFSZSA-N
MW212.30 g/mol
LogP2.44
Rot. Bonds4

About 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile

1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 146311217) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
PubChem CID146311217
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C14H16N2/c15-9-14(6-7-14)10-16-13-8-12(13)11-4-2-1-3-5-11/h1-5,12-13,16H,6-8,10H2/t12-,13+/m0/s1
InChIKeyZUXVLSLEYXJZOK-QWHCGFSZSA-N
XLogP2.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266287
4-fluoro-N-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclohexan-1-amine
CID 137422559
1-[[[(1S,2R)-2-[3-[3-[[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]phenyl]cyclopropyl]amino]methyl]cyclobutane-1-carbonitrile
CID 155266514
4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide
CID 155265790
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzonitrile
CID 118290227
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 118290144
4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500
1-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 130453521
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine
CID 104678843
2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62340040

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile (CID 146311217) is 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile is N#CC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is ZUXVLSLEYXJZOK-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H16N2/c15-9-14(6-7-14)10-16-13-8-12(13)11-4-2-1-3-5-11/h1-5,12-13,16H,6-8,10H2/t12-,13+/m0/s1.
What are the key properties of 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile?
1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 146311217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).