cyclohept-4-en-1-amine

C7H13N — CID 538140

IUPACcyclohept-4-en-1-amine
SMILESNC1CCC=CCC1
InChIInChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h1-2,7H,3-6,8H2
InChIKeyLHZQBYZXLGZBJZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.44
Rot. Bonds

About cyclohept-4-en-1-amine

cyclohept-4-en-1-amine (PubChem CID 538140) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is cyclohept-4-en-1-amine.

Molecular Properties

Compound Namecyclohept-4-en-1-amine
PubChem CID538140
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namecyclohept-4-en-1-amine
SMILESNC1CCC=CCC1
InChIInChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h1-2,7H,3-6,8H2
InChIKeyLHZQBYZXLGZBJZ-UHFFFAOYSA-N
XLogP1.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.44
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 cyclohept-4-en-1-amine?
The IUPAC name of cyclohept-4-en-1-amine (CID 538140) is cyclohept-4-en-1-amine.
What is the SMILES notation for cyclohept-4-en-1-amine?
The canonical SMILES for cyclohept-4-en-1-amine is NC1CCC=CCC1.
What is the InChIKey of cyclohept-4-en-1-amine?
The InChIKey is LHZQBYZXLGZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h1-2,7H,3-6,8H2.
What are the key properties of cyclohept-4-en-1-amine?
cyclohept-4-en-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-4-en-1-amine is sourced from PubChem (CID 538140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).