4-cyclohexylbutan-1-amine;hydrochloride

C10H22ClN — CID 67665513

IUPAC4-cyclohexylbutan-1-amine;hydrochloride
SMILESCl.NCCCCC1CCCCC1
InChIInChI=1S/C10H21N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h10H,1-9,11H2;1H
InChIKeyHJSBKANKLRDTKH-UHFFFAOYSA-N
MW191.75 g/mol
LogP3.12
Rot. Bonds4

About 4-cyclohexylbutan-1-amine;hydrochloride

4-cyclohexylbutan-1-amine;hydrochloride (PubChem CID 67665513) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is 4-cyclohexylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-cyclohexylbutan-1-amine;hydrochloride
PubChem CID67665513
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC Name4-cyclohexylbutan-1-amine;hydrochloride
SMILESCl.NCCCCC1CCCCC1
InChIInChI=1S/C10H21N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h10H,1-9,11H2;1H
InChIKeyHJSBKANKLRDTKH-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
CID 126513357
4-cycloheptylbutan-1-ol
CID 54439965
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutan-1-amine;hydrochloride?
The IUPAC name of 4-cyclohexylbutan-1-amine;hydrochloride (CID 67665513) is 4-cyclohexylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4-cyclohexylbutan-1-amine;hydrochloride?
The canonical SMILES for 4-cyclohexylbutan-1-amine;hydrochloride is Cl.NCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutan-1-amine;hydrochloride?
The InChIKey is HJSBKANKLRDTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h10H,1-9,11H2;1H.
What are the key properties of 4-cyclohexylbutan-1-amine;hydrochloride?
4-cyclohexylbutan-1-amine;hydrochloride has a molecular weight of 191.75 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutan-1-amine;hydrochloride is sourced from PubChem (CID 67665513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).