(E)-4-cycloheptylbut-3-en-2-amine

C11H21N — CID 103091494

IUPAC(E)-4-cycloheptylbut-3-en-2-amine
SMILESCC(N)/C=C/C1CCCCCC1
InChIInChI=1S/C11H21N/c1-10(12)8-9-11-6-4-2-3-5-7-11/h8-11H,2-7,12H2,1H3/b9-8+
InChIKeyYKDYDSPEFODOHE-CMDGGOBGSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds2

About (E)-4-cycloheptylbut-3-en-2-amine

(E)-4-cycloheptylbut-3-en-2-amine (PubChem CID 103091494) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-4-cycloheptylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-cycloheptylbut-3-en-2-amine
PubChem CID103091494
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-4-cycloheptylbut-3-en-2-amine
SMILESCC(N)/C=C/C1CCCCCC1
InChIInChI=1S/C11H21N/c1-10(12)8-9-11-6-4-2-3-5-7-11/h8-11H,2-7,12H2,1H3/b9-8+
InChIKeyYKDYDSPEFODOHE-CMDGGOBGSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
CID 11130051
[(E)-3-methylbut-1-enyl]cyclobutane
CID 171745046
[(E)-2-propan-2-ylselanylethenyl]cyclohexane
CID 10561487
[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium
CID 10757160
2-cyclohexylethenylcyclohexane
CID 4124459
prop-1-enylcyclododecane
CID 139760926
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
CID 11241316
N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
CID 79348190
[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene
CID 11138907
(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
CID 130129151
3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 79348258
(E)-2-cyclopentylethenamine
CID 144971488

Frequently Asked Questions

What is the IUPAC name of (E)-4-cycloheptylbut-3-en-2-amine?
The IUPAC name of (E)-4-cycloheptylbut-3-en-2-amine (CID 103091494) is (E)-4-cycloheptylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-cycloheptylbut-3-en-2-amine?
The canonical SMILES for (E)-4-cycloheptylbut-3-en-2-amine is CC(N)/C=C/C1CCCCCC1.
What is the InChIKey of (E)-4-cycloheptylbut-3-en-2-amine?
The InChIKey is YKDYDSPEFODOHE-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H21N/c1-10(12)8-9-11-6-4-2-3-5-7-11/h8-11H,2-7,12H2,1H3/b9-8+.
What are the key properties of (E)-4-cycloheptylbut-3-en-2-amine?
(E)-4-cycloheptylbut-3-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cycloheptylbut-3-en-2-amine is sourced from PubChem (CID 103091494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).