1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine

C12H15N — CID 10975970

IUPAC1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine
SMILESC/C(=C\c1ccccc1)C1(N)CC1
InChIInChI=1S/C12H15N/c1-10(12(13)7-8-12)9-11-5-3-2-4-6-11/h2-6,9H,7-8,13H2,1H3/b10-9+
InChIKeyYBGPESYKXOKOBJ-MDZDMXLPSA-N
MW173.26 g/mol
LogP2.58
Rot. Bonds2

About 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine

1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine (PubChem CID 10975970) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine
PubChem CID10975970
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine
SMILESC/C(=C\c1ccccc1)C1(N)CC1
InChIInChI=1S/C12H15N/c1-10(12(13)7-8-12)9-11-5-3-2-4-6-11/h2-6,9H,7-8,13H2,1H3/b10-9+
InChIKeyYBGPESYKXOKOBJ-MDZDMXLPSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 4771
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CID 70969
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CID 118483877
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CID 6442398
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CID 194548
CID 194548
CID 118712956
CID 118712956
CID 68509
CID 68509
CID 194549
CID 194549
CID 86252845
CID 86252845
CID 90197458
CID 90197458
CID 90197459
CID 90197459
CID 90197969
CID 90197969

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine (CID 10975970) is 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine is C/C(=C\c1ccccc1)C1(N)CC1.
What is the InChIKey of 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine?
The InChIKey is YBGPESYKXOKOBJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H15N/c1-10(12(13)7-8-12)9-11-5-3-2-4-6-11/h2-6,9H,7-8,13H2,1H3/b10-9+.
What are the key properties of 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine?
1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-phenylprop-1-en-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 10975970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).