N-prop-2-ynylcyclohexanamine;hydrochloride

C9H16ClN — CID 17332726

IUPACN-prop-2-ynylcyclohexanamine;hydrochloride
SMILESC#CCNC1CCCCC1.Cl
InChIInChI=1S/C9H15N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h1,9-10H,3-8H2;1H
InChIKeyOPWVWTBAPMGQMO-UHFFFAOYSA-N
MW173.69 g/mol
LogP1.96
Rot. Bonds2

About N-prop-2-ynylcyclohexanamine;hydrochloride

N-prop-2-ynylcyclohexanamine;hydrochloride (PubChem CID 17332726) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is N-prop-2-ynylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-prop-2-ynylcyclohexanamine;hydrochloride
PubChem CID17332726
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC NameN-prop-2-ynylcyclohexanamine;hydrochloride
SMILESC#CCNC1CCCCC1.Cl
InChIInChI=1S/C9H15N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h1,9-10H,3-8H2;1H
InChIKeyOPWVWTBAPMGQMO-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylcyclohexanamine;hydrochloride?
The IUPAC name of N-prop-2-ynylcyclohexanamine;hydrochloride (CID 17332726) is N-prop-2-ynylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-prop-2-ynylcyclohexanamine;hydrochloride?
The canonical SMILES for N-prop-2-ynylcyclohexanamine;hydrochloride is C#CCNC1CCCCC1.Cl.
What is the InChIKey of N-prop-2-ynylcyclohexanamine;hydrochloride?
The InChIKey is OPWVWTBAPMGQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h1,9-10H,3-8H2;1H.
What are the key properties of N-prop-2-ynylcyclohexanamine;hydrochloride?
N-prop-2-ynylcyclohexanamine;hydrochloride has a molecular weight of 173.69 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylcyclohexanamine;hydrochloride is sourced from PubChem (CID 17332726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).