pentan-1-amine;phosphane;sulfane

C5H18NPS — CID 174645981

IUPACpentan-1-amine;phosphane;sulfane
SMILESCCCCCN.P.S
InChIInChI=1S/C5H13N.H3P.H2S/c1-2-3-4-5-6;;/h2-6H2,1H3;1H3;1H2
InChIKeyZVADCHOJZWTEGE-UHFFFAOYSA-N
MW155.25 g/mol
LogP1.31
Rot. Bonds3

About pentan-1-amine;phosphane;sulfane

pentan-1-amine;phosphane;sulfane (PubChem CID 174645981) has the molecular formula C5H18NPS and a molecular weight of 155.25 g/mol. Its IUPAC name is pentan-1-amine;phosphane;sulfane.

Molecular Properties

Compound Namepentan-1-amine;phosphane;sulfane
PubChem CID174645981
Molecular FormulaC5H18NPS
Molecular Weight155.25 g/mol
Exact Mass155.09
IUPAC Namepentan-1-amine;phosphane;sulfane
SMILESCCCCCN.P.S
InChIInChI=1S/C5H13N.H3P.H2S/c1-2-3-4-5-6;;/h2-6H2,1H3;1H3;1H2
InChIKeyZVADCHOJZWTEGE-UHFFFAOYSA-N
XLogP1.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
tetramethylazanium;undecan-1-amine
CID 173140358
nonan-1-amine;dihydrate
CID 174770026
copper;hexan-1-amine
CID 87269039
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898

Frequently Asked Questions

What is the IUPAC name of pentan-1-amine;phosphane;sulfane?
The IUPAC name of pentan-1-amine;phosphane;sulfane (CID 174645981) is pentan-1-amine;phosphane;sulfane.
What is the SMILES notation for pentan-1-amine;phosphane;sulfane?
The canonical SMILES for pentan-1-amine;phosphane;sulfane is CCCCCN.P.S.
What is the InChIKey of pentan-1-amine;phosphane;sulfane?
The InChIKey is ZVADCHOJZWTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.H3P.H2S/c1-2-3-4-5-6;;/h2-6H2,1H3;1H3;1H2.
What are the key properties of pentan-1-amine;phosphane;sulfane?
pentan-1-amine;phosphane;sulfane has a molecular weight of 155.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-amine;phosphane;sulfane is sourced from PubChem (CID 174645981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).