cyclohexen-1-ylmethanamine;hydrochloride

C7H14ClN — CID 53398883

IUPACcyclohexen-1-ylmethanamine;hydrochloride
SMILESCl.NCC1=CCCCC1
InChIInChI=1S/C7H13N.ClH/c8-6-7-4-2-1-3-5-7;/h4H,1-3,5-6,8H2;1H
InChIKeyPBPGOPRTFZOAES-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.87
Rot. Bonds1

About cyclohexen-1-ylmethanamine;hydrochloride

cyclohexen-1-ylmethanamine;hydrochloride (PubChem CID 53398883) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is cyclohexen-1-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namecyclohexen-1-ylmethanamine;hydrochloride
PubChem CID53398883
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Namecyclohexen-1-ylmethanamine;hydrochloride
SMILESCl.NCC1=CCCCC1
InChIInChI=1S/C7H13N.ClH/c8-6-7-4-2-1-3-5-7;/h4H,1-3,5-6,8H2;1H
InChIKeyPBPGOPRTFZOAES-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 cyclohexen-1-ylmethanamine;hydrochloride?
The IUPAC name of cyclohexen-1-ylmethanamine;hydrochloride (CID 53398883) is cyclohexen-1-ylmethanamine;hydrochloride.
What is the SMILES notation for cyclohexen-1-ylmethanamine;hydrochloride?
The canonical SMILES for cyclohexen-1-ylmethanamine;hydrochloride is Cl.NCC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethanamine;hydrochloride?
The InChIKey is PBPGOPRTFZOAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c8-6-7-4-2-1-3-5-7;/h4H,1-3,5-6,8H2;1H.
What are the key properties of cyclohexen-1-ylmethanamine;hydrochloride?
cyclohexen-1-ylmethanamine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethanamine;hydrochloride is sourced from PubChem (CID 53398883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).