N-(2-cyclohexylethyl)butan-1-amine;hydrochloride

C12H26ClN — CID 57440786

IUPACN-(2-cyclohexylethyl)butan-1-amine;hydrochloride
SMILESCCCCNCCC1CCCCC1.Cl
InChIInChI=1S/C12H25N.ClH/c1-2-3-10-13-11-9-12-7-5-4-6-8-12;/h12-13H,2-11H2,1H3;1H
InChIKeySIGIIXYMDHGVLA-UHFFFAOYSA-N
MW219.79 g/mol
LogP—
Rot. Bonds6

About N-(2-cyclohexylethyl)butan-1-amine;hydrochloride

N-(2-cyclohexylethyl)butan-1-amine;hydrochloride (PubChem CID 57440786) has the molecular formula C12H26ClN and a molecular weight of 219.79 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)butan-1-amine;hydrochloride
PubChem CID57440786
Molecular FormulaC12H26ClN
Molecular Weight219.79 g/mol
Exact Mass219.18
IUPAC NameN-(2-cyclohexylethyl)butan-1-amine;hydrochloride
SMILESCCCCNCCC1CCCCC1.Cl
InChIInChI=1S/C12H25N.ClH/c1-2-3-10-13-11-9-12-7-5-4-6-8-12;/h12-13H,2-11H2,1H3;1H
InChIKeySIGIIXYMDHGVLA-UHFFFAOYSA-N
XLogP—
TPSA12.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity106

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)butan-1-amine;hydrochloride?
The IUPAC name of N-(2-cyclohexylethyl)butan-1-amine;hydrochloride (CID 57440786) is N-(2-cyclohexylethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for N-(2-cyclohexylethyl)butan-1-amine;hydrochloride?
The canonical SMILES for N-(2-cyclohexylethyl)butan-1-amine;hydrochloride is CCCCNCCC1CCCCC1.Cl.
What is the InChIKey of N-(2-cyclohexylethyl)butan-1-amine;hydrochloride?
The InChIKey is SIGIIXYMDHGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.ClH/c1-2-3-10-13-11-9-12-7-5-4-6-8-12;/h12-13H,2-11H2,1H3;1H.
What are the key properties of N-(2-cyclohexylethyl)butan-1-amine;hydrochloride?
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride has a molecular weight of 219.79 g/mol, XLogP of not available, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 57440786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).