[1-[(E)-but-2-enyl]cyclohexyl]methanamine

C11H21N — CID 12910292

IUPAC[1-[(E)-but-2-enyl]cyclohexyl]methanamine
SMILESC/C=C/CC1(CN)CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h2-3H,4-10,12H2,1H3/b3-2+
InChIKeySICMSXKYCSIARY-NSCUHMNNSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds3

About [1-[(E)-but-2-enyl]cyclohexyl]methanamine

[1-[(E)-but-2-enyl]cyclohexyl]methanamine (PubChem CID 12910292) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is [1-[(E)-but-2-enyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(E)-but-2-enyl]cyclohexyl]methanamine
PubChem CID12910292
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name[1-[(E)-but-2-enyl]cyclohexyl]methanamine
SMILESC/C=C/CC1(CN)CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h2-3H,4-10,12H2,1H3/b3-2+
InChIKeySICMSXKYCSIARY-NSCUHMNNSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-but-2-enyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(E)-but-2-enyl]cyclohexyl]methanamine (CID 12910292) is [1-[(E)-but-2-enyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(E)-but-2-enyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(E)-but-2-enyl]cyclohexyl]methanamine is C/C=C/CC1(CN)CCCCC1.
What is the InChIKey of [1-[(E)-but-2-enyl]cyclohexyl]methanamine?
The InChIKey is SICMSXKYCSIARY-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-7-11(10-12)8-5-4-6-9-11/h2-3H,4-10,12H2,1H3/b3-2+.
What are the key properties of [1-[(E)-but-2-enyl]cyclohexyl]methanamine?
[1-[(E)-but-2-enyl]cyclohexyl]methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-but-2-enyl]cyclohexyl]methanamine is sourced from PubChem (CID 12910292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).