N-thionitrosohexan-1-amine

C6H14N2S — CID 88687267

IUPACN-thionitrosohexan-1-amine
SMILESCCCCCCNN=S
InChIInChI=1S/C6H14N2S/c1-2-3-4-5-6-7-8-9/h2-6H2,1H3,(H,7,9)
InChIKeyZCWMZWLTEAUQET-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.80
Rot. Bonds6

About N-thionitrosohexan-1-amine

N-thionitrosohexan-1-amine (PubChem CID 88687267) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-thionitrosohexan-1-amine.

Molecular Properties

Compound NameN-thionitrosohexan-1-amine
PubChem CID88687267
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-thionitrosohexan-1-amine
SMILESCCCCCCNN=S
InChIInChI=1S/C6H14N2S/c1-2-3-4-5-6-7-8-9/h2-6H2,1H3,(H,7,9)
InChIKeyZCWMZWLTEAUQET-UHFFFAOYSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-thionitrosopentan-1-amine
CID 87525507
N-oxidohexatriacontan-1-amine
CID 141154892
N-hexyltridecan-1-amine
CID 87659278
1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-[(Z)-hexadecylideneamino]hexadecan-1-amine
CID 91745707
N-methyltriacontan-1-amine
CID 19840895
N-butyltetradecan-1-amine
CID 3548872

Frequently Asked Questions

What is the IUPAC name of N-thionitrosohexan-1-amine?
The IUPAC name of N-thionitrosohexan-1-amine (CID 88687267) is N-thionitrosohexan-1-amine.
What is the SMILES notation for N-thionitrosohexan-1-amine?
The canonical SMILES for N-thionitrosohexan-1-amine is CCCCCCNN=S.
What is the InChIKey of N-thionitrosohexan-1-amine?
The InChIKey is ZCWMZWLTEAUQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-2-3-4-5-6-7-8-9/h2-6H2,1H3,(H,7,9).
What are the key properties of N-thionitrosohexan-1-amine?
N-thionitrosohexan-1-amine has a molecular weight of 146.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-thionitrosohexan-1-amine is sourced from PubChem (CID 88687267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).