1-cyclohexylprop-2-yn-1-amine;hydrochloride

C9H16ClN — CID 154810457

IUPAC1-cyclohexylprop-2-yn-1-amine;hydrochloride
SMILESC#CC(N)C1CCCCC1.Cl
InChIInChI=1S/C9H15N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h1,8-9H,3-7,10H2;1H
InChIKeyQZWCORHRJZIQJQ-UHFFFAOYSA-N
MW173.69 g/mol
LogP1.95
Rot. Bonds1

About 1-cyclohexylprop-2-yn-1-amine;hydrochloride

1-cyclohexylprop-2-yn-1-amine;hydrochloride (PubChem CID 154810457) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 1-cyclohexylprop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexylprop-2-yn-1-amine;hydrochloride
PubChem CID154810457
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name1-cyclohexylprop-2-yn-1-amine;hydrochloride
SMILESC#CC(N)C1CCCCC1.Cl
InChIInChI=1S/C9H15N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h1,8-9H,3-7,10H2;1H
InChIKeyQZWCORHRJZIQJQ-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 51.95
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 1-cyclohexylprop-2-yn-1-amine;hydrochloride?
The IUPAC name of 1-cyclohexylprop-2-yn-1-amine;hydrochloride (CID 154810457) is 1-cyclohexylprop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for 1-cyclohexylprop-2-yn-1-amine;hydrochloride?
The canonical SMILES for 1-cyclohexylprop-2-yn-1-amine;hydrochloride is C#CC(N)C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexylprop-2-yn-1-amine;hydrochloride?
The InChIKey is QZWCORHRJZIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h1,8-9H,3-7,10H2;1H.
What are the key properties of 1-cyclohexylprop-2-yn-1-amine;hydrochloride?
1-cyclohexylprop-2-yn-1-amine;hydrochloride has a molecular weight of 173.69 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylprop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 154810457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).