N-butylbutan-1-amine;hydrochloride

C8H20ClN — CID 3083954

IUPACN-butylbutan-1-amine;hydrochloride
SMILESCCCCNCCCC.Cl
InChIInChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H
InChIKeyODYNBECIRXXOGG-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.60
Rot. Bonds6

About N-butylbutan-1-amine;hydrochloride

N-butylbutan-1-amine;hydrochloride (PubChem CID 3083954) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is N-butylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butylbutan-1-amine;hydrochloride
PubChem CID3083954
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC NameN-butylbutan-1-amine;hydrochloride
SMILESCCCCNCCCC.Cl
InChIInChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H
InChIKeyODYNBECIRXXOGG-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.60
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

potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-butyltetradecan-1-amine
CID 3548872
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-butylbutan-1-amine;propan-1-ol
CID 174657089
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;hydrochloride?
The IUPAC name of N-butylbutan-1-amine;hydrochloride (CID 3083954) is N-butylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-butylbutan-1-amine;hydrochloride?
The canonical SMILES for N-butylbutan-1-amine;hydrochloride is CCCCNCCCC.Cl.
What is the InChIKey of N-butylbutan-1-amine;hydrochloride?
The InChIKey is ODYNBECIRXXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H.
What are the key properties of N-butylbutan-1-amine;hydrochloride?
N-butylbutan-1-amine;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;hydrochloride is sourced from PubChem (CID 3083954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).