cyclohept-4-en-1-amine;hydrochloride

C7H14ClN — CID 23321004

IUPACcyclohept-4-en-1-amine;hydrochloride
SMILESCl.NC1CCC=CCC1
InChIInChI=1S/C7H13N.ClH/c8-7-5-3-1-2-4-6-7;/h1-2,7H,3-6,8H2;1H
InChIKeyAVEGFXUBFQKBCR-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.87
Rot. Bonds

About cyclohept-4-en-1-amine;hydrochloride

cyclohept-4-en-1-amine;hydrochloride (PubChem CID 23321004) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is cyclohept-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Namecyclohept-4-en-1-amine;hydrochloride
PubChem CID23321004
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Namecyclohept-4-en-1-amine;hydrochloride
SMILESCl.NC1CCC=CCC1
InChIInChI=1S/C7H13N.ClH/c8-7-5-3-1-2-4-6-7;/h1-2,7H,3-6,8H2;1H
InChIKeyAVEGFXUBFQKBCR-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.87
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;hydrochloride?
The IUPAC name of cyclohept-4-en-1-amine;hydrochloride (CID 23321004) is cyclohept-4-en-1-amine;hydrochloride.
What is the SMILES notation for cyclohept-4-en-1-amine;hydrochloride?
The canonical SMILES for cyclohept-4-en-1-amine;hydrochloride is Cl.NC1CCC=CCC1.
What is the InChIKey of cyclohept-4-en-1-amine;hydrochloride?
The InChIKey is AVEGFXUBFQKBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c8-7-5-3-1-2-4-6-7;/h1-2,7H,3-6,8H2;1H.
What are the key properties of cyclohept-4-en-1-amine;hydrochloride?
cyclohept-4-en-1-amine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.87, 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;hydrochloride is sourced from PubChem (CID 23321004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).