4-cyclohexylbut-2-en-1-amine;hydrochloride

C10H20ClN — CID 67913983

IUPAC4-cyclohexylbut-2-en-1-amine;hydrochloride
SMILESCl.NCC=CCC1CCCCC1
InChIInChI=1S/C10H19N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h4-5,10H,1-3,6-9,11H2;1H
InChIKeyKBJKIUWARUTLLW-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.89
Rot. Bonds3

About 4-cyclohexylbut-2-en-1-amine;hydrochloride

4-cyclohexylbut-2-en-1-amine;hydrochloride (PubChem CID 67913983) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 4-cyclohexylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name4-cyclohexylbut-2-en-1-amine;hydrochloride
PubChem CID67913983
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name4-cyclohexylbut-2-en-1-amine;hydrochloride
SMILESCl.NCC=CCC1CCCCC1
InChIInChI=1S/C10H19N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h4-5,10H,1-3,6-9,11H2;1H
InChIKeyKBJKIUWARUTLLW-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-4-piperidin-4-ylbut-2-en-1-amine
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4-(4-cyclododecylbut-2-enoxy)but-2-enylcyclododecane
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4-cyclohexylbut-2-enamide
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[(E)-3-cyclohexylprop-1-enyl]boronic acid
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5,6-dimethylhept-2-enylcyclohexane
CID 57295731
N-[(Z)-3-cyclohexylprop-1-enyl]methanimine
CID 155471203
[(E)-4,4-dimethylpent-2-enyl]cyclohexane
CID 158566714
4-iodobut-2-enylcyclobutane
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cyclohexanamine;cyclohexylmethanamine
CID 174974863

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbut-2-en-1-amine;hydrochloride?
The IUPAC name of 4-cyclohexylbut-2-en-1-amine;hydrochloride (CID 67913983) is 4-cyclohexylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for 4-cyclohexylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for 4-cyclohexylbut-2-en-1-amine;hydrochloride is Cl.NCC=CCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbut-2-en-1-amine;hydrochloride?
The InChIKey is KBJKIUWARUTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h4-5,10H,1-3,6-9,11H2;1H.
What are the key properties of 4-cyclohexylbut-2-en-1-amine;hydrochloride?
4-cyclohexylbut-2-en-1-amine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 67913983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).