trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine

C13H17N — CID 122641422

IUPACtrans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
SMILESCC/C(=C\c1ccccc1)[C@H]1C[C@@H]1N
InChIInChI=1S/C13H17N/c1-2-11(12-9-13(12)14)8-10-6-4-3-5-7-10/h3-8,12-13H,2,9,14H2,1H3/b11-8+/t12-,13+/m1/s1
InChIKeyFNNNISNQMKUGNI-GTMNMCRUSA-N
MW187.29 g/mol
LogP2.83
Rot. Bonds3

About trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine

trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine (PubChem CID 122641422) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
PubChem CID122641422
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nametrans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
SMILESCC/C(=C\c1ccccc1)[C@H]1C[C@@H]1N
InChIInChI=1S/C13H17N/c1-2-11(12-9-13(12)14)8-10-6-4-3-5-7-10/h3-8,12-13H,2,9,14H2,1H3/b11-8+/t12-,13+/m1/s1
InChIKeyFNNNISNQMKUGNI-GTMNMCRUSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride
CID 122641306
2,2-dimethyl-N'-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]propane-1,3-diamine;dihydrochloride
CID 135351344
trans-(1R,2S)-N-[(3-methylazetidin-3-yl)methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
CID 122648914
4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-one
CID 122641251
4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-one;hydrochloride
CID 122641252
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
CID 138677733
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122641383
N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
CID 135351406
trans-(1R,2S)-N-[[2-(aminomethyl)-3-pyridinyl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
CID 122650162
trans-(1S,2R)-N-[[2-(aminomethyl)-3-pyridinyl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
CID 135351491
[4-[[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]methyl]cyclohexyl]carbamic acid
CID 122641260
[4-[[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]methyl]cyclohexyl]carbamic acid
CID 122641259

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine (CID 122641422) is trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine is CC/C(=C\c1ccccc1)[C@H]1C[C@@H]1N.
What is the InChIKey of trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
The InChIKey is FNNNISNQMKUGNI-GTMNMCRUSA-N. The full InChI is InChI=1S/C13H17N/c1-2-11(12-9-13(12)14)8-10-6-4-3-5-7-10/h3-8,12-13H,2,9,14H2,1H3/b11-8+/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 122641422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).