cyclohex-2-en-1-ylmethanamine

C7H13N — CID 13237355

IUPACcyclohex-2-en-1-ylmethanamine
SMILESNCC1C=CCCC1
InChIInChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6,8H2
InChIKeyHUESUARLBCVSFD-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds1

About cyclohex-2-en-1-ylmethanamine

cyclohex-2-en-1-ylmethanamine (PubChem CID 13237355) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is cyclohex-2-en-1-ylmethanamine.

Molecular Properties

Compound Namecyclohex-2-en-1-ylmethanamine
PubChem CID13237355
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namecyclohex-2-en-1-ylmethanamine
SMILESNCC1C=CCCC1
InChIInChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6,8H2
InChIKeyHUESUARLBCVSFD-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
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 cyclohex-2-en-1-ylmethanamine?
The IUPAC name of cyclohex-2-en-1-ylmethanamine (CID 13237355) is cyclohex-2-en-1-ylmethanamine.
What is the SMILES notation for cyclohex-2-en-1-ylmethanamine?
The canonical SMILES for cyclohex-2-en-1-ylmethanamine is NCC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylmethanamine?
The InChIKey is HUESUARLBCVSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6,8H2.
What are the key properties of cyclohex-2-en-1-ylmethanamine?
cyclohex-2-en-1-ylmethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylmethanamine is sourced from PubChem (CID 13237355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).