(E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine

C13H17N — CID 117280896

IUPAC(E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc(C2CCC2)c1
InChIInChI=1S/C13H17N/c14-9-3-5-11-4-1-8-13(10-11)12-6-2-7-12/h1,3-5,8,10,12H,2,6-7,9,14H2/b5-3+
InChIKeyKBELTRTUZRVTNK-HWKANZROSA-N
MW187.29 g/mol
LogP2.93
Rot. Bonds3

About (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine

(E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine (PubChem CID 117280896) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine
PubChem CID117280896
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc(C2CCC2)c1
InChIInChI=1S/C13H17N/c14-9-3-5-11-4-1-8-13(10-11)12-6-2-7-12/h1,3-5,8,10,12H,2,6-7,9,14H2/b5-3+
InChIKeyKBELTRTUZRVTNK-HWKANZROSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(3-cyclopropylphenyl)-N-propylprop-2-en-1-amine
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2-(3-cyclobutylphenyl)ethanamine
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[3-(4-ethylcycloheptyl)phenyl]methanamine
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3-(4-aminocycloheptyl)phenol
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2-[(3-cyclopropylphenyl)methylidene]-3-methylbutan-1-amine
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3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
CID 66902963
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine (CID 117280896) is (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine is NC/C=C/c1cccc(C2CCC2)c1.
What is the InChIKey of (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine?
The InChIKey is KBELTRTUZRVTNK-HWKANZROSA-N. The full InChI is InChI=1S/C13H17N/c14-9-3-5-11-4-1-8-13(10-11)12-6-2-7-12/h1,3-5,8,10,12H,2,6-7,9,14H2/b5-3+.
What are the key properties of (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine?
(E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117280896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).