N-prop-2-enylcyclohexanamine;hydrochloride

C9H18ClN — CID 18686625

IUPACN-prop-2-enylcyclohexanamine;hydrochloride
SMILESC=CCNC1CCCCC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h2,9-10H,1,3-8H2;1H
InChIKeyBCDHEVYMYBBIJY-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.52
Rot. Bonds3

About N-prop-2-enylcyclohexanamine;hydrochloride

N-prop-2-enylcyclohexanamine;hydrochloride (PubChem CID 18686625) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-prop-2-enylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enylcyclohexanamine;hydrochloride
PubChem CID18686625
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-prop-2-enylcyclohexanamine;hydrochloride
SMILESC=CCNC1CCCCC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h2,9-10H,1,3-8H2;1H
InChIKeyBCDHEVYMYBBIJY-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.52
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 N-prop-2-enylcyclohexanamine;hydrochloride?
The IUPAC name of N-prop-2-enylcyclohexanamine;hydrochloride (CID 18686625) is N-prop-2-enylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-prop-2-enylcyclohexanamine;hydrochloride?
The canonical SMILES for N-prop-2-enylcyclohexanamine;hydrochloride is C=CCNC1CCCCC1.Cl.
What is the InChIKey of N-prop-2-enylcyclohexanamine;hydrochloride?
The InChIKey is BCDHEVYMYBBIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h2,9-10H,1,3-8H2;1H.
What are the key properties of N-prop-2-enylcyclohexanamine;hydrochloride?
N-prop-2-enylcyclohexanamine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclohexanamine;hydrochloride is sourced from PubChem (CID 18686625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).