potassium;N-butylbutan-1-amine;hydride

C8H20KN — CID 174461538

IUPACpotassium;N-butylbutan-1-amine;hydride
SMILESCCCCNCCCC.[H-].[K+]
InChIInChI=1S/C8H19N.K.H/c1-3-5-7-9-8-6-4-2;;/h9H,3-8H2,1-2H3;;/q;+1;-1
InChIKeyWAOOJHDPQBHYJB-UHFFFAOYSA-N
MW169.35 g/mol
LogP-0.71
Rot. Bonds6

About potassium;N-butylbutan-1-amine;hydride

potassium;N-butylbutan-1-amine;hydride (PubChem CID 174461538) has the molecular formula C8H20KN and a molecular weight of 169.35 g/mol. Its IUPAC name is potassium;N-butylbutan-1-amine;hydride.

Molecular Properties

Compound Namepotassium;N-butylbutan-1-amine;hydride
PubChem CID174461538
Molecular FormulaC8H20KN
Molecular Weight169.35 g/mol
Exact Mass169.12
IUPAC Namepotassium;N-butylbutan-1-amine;hydride
SMILESCCCCNCCCC.[H-].[K+]
InChIInChI=1S/C8H19N.K.H/c1-3-5-7-9-8-6-4-2;;/h9H,3-8H2,1-2H3;;/q;+1;-1
InChIKeyWAOOJHDPQBHYJB-UHFFFAOYSA-N
XLogP-0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.35
LogP ≤ 5-0.71
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

N-butylbutan-1-amine;hydrochloride
CID 3083954
N-butyltetradecan-1-amine
CID 3548872
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;hydrochloride
CID 520044
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of potassium;N-butylbutan-1-amine;hydride?
The IUPAC name of potassium;N-butylbutan-1-amine;hydride (CID 174461538) is potassium;N-butylbutan-1-amine;hydride.
What is the SMILES notation for potassium;N-butylbutan-1-amine;hydride?
The canonical SMILES for potassium;N-butylbutan-1-amine;hydride is CCCCNCCCC.[H-].[K+].
What is the InChIKey of potassium;N-butylbutan-1-amine;hydride?
The InChIKey is WAOOJHDPQBHYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.K.H/c1-3-5-7-9-8-6-4-2;;/h9H,3-8H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;N-butylbutan-1-amine;hydride?
potassium;N-butylbutan-1-amine;hydride has a molecular weight of 169.35 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-butylbutan-1-amine;hydride is sourced from PubChem (CID 174461538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).