hexadecan-1-amine;2-methylpropane;hydrochloride

C20H46ClN — CID 173319853

IUPAChexadecan-1-amine;2-methylpropane;hydrochloride
SMILESCC(C)C.CCCCCCCCCCCCCCCCN.Cl
InChIInChI=1S/C16H35N.C4H10.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-4(2)3;/h2-17H2,1H3;4H,1-3H3;1H
InChIKeyYALFOQGMZGQCPY-UHFFFAOYSA-N
MW336.05 g/mol
LogP7.51
Rot. Bonds14

About hexadecan-1-amine;2-methylpropane;hydrochloride

hexadecan-1-amine;2-methylpropane;hydrochloride (PubChem CID 173319853) has the molecular formula C20H46ClN and a molecular weight of 336.05 g/mol. Its IUPAC name is hexadecan-1-amine;2-methylpropane;hydrochloride.

Molecular Properties

Compound Namehexadecan-1-amine;2-methylpropane;hydrochloride
PubChem CID173319853
Molecular FormulaC20H46ClN
Molecular Weight336.05 g/mol
Exact Mass335.33
IUPAC Namehexadecan-1-amine;2-methylpropane;hydrochloride
SMILESCC(C)C.CCCCCCCCCCCCCCCCN.Cl
InChIInChI=1S/C16H35N.C4H10.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-4(2)3;/h2-17H2,1H3;4H,1-3H3;1H
InChIKeyYALFOQGMZGQCPY-UHFFFAOYSA-N
XLogP7.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.05
LogP ≤ 57.51
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

octadecan-1-amine;trihydrochloride
CID 175177898
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tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
dodecan-1-amine;bis(propan-2-ol)
CID 19742183
tripotassium;hydride;octadecan-1-amine;hydrochloride
CID 174410869
methanamine;tridecan-1-amine
CID 22649914
hexan-1-amine;dihydrate
CID 174459608
hexadecan-1-amine;zinc
CID 175602655

Frequently Asked Questions

What is the IUPAC name of hexadecan-1-amine;2-methylpropane;hydrochloride?
The IUPAC name of hexadecan-1-amine;2-methylpropane;hydrochloride (CID 173319853) is hexadecan-1-amine;2-methylpropane;hydrochloride.
What is the SMILES notation for hexadecan-1-amine;2-methylpropane;hydrochloride?
The canonical SMILES for hexadecan-1-amine;2-methylpropane;hydrochloride is CC(C)C.CCCCCCCCCCCCCCCCN.Cl.
What is the InChIKey of hexadecan-1-amine;2-methylpropane;hydrochloride?
The InChIKey is YALFOQGMZGQCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C4H10.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-4(2)3;/h2-17H2,1H3;4H,1-3H3;1H.
What are the key properties of hexadecan-1-amine;2-methylpropane;hydrochloride?
hexadecan-1-amine;2-methylpropane;hydrochloride has a molecular weight of 336.05 g/mol, XLogP of 7.51, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-amine;2-methylpropane;hydrochloride is sourced from PubChem (CID 173319853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).