6-N'-nitrosohexanediimidamide

C6H13N5O — CID 143800377

IUPAC6-N'-nitrosohexanediimidamide
SMILES[H]/N=C(\N)CCCC/C(N)=N/N=O
InChIInChI=1S/C6H13N5O/c7-5(8)3-1-2-4-6(9)10-11-12/h1-4H2,(H3,7,8)(H2,9,10,12)
InChIKeyYZDMYYUBNFQZBJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds6

About 6-N'-nitrosohexanediimidamide

6-N'-nitrosohexanediimidamide (PubChem CID 143800377) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 6-N'-nitrosohexanediimidamide.

Molecular Properties

Compound Name6-N'-nitrosohexanediimidamide
PubChem CID143800377
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name6-N'-nitrosohexanediimidamide
SMILES[H]/N=C(\N)CCCC/C(N)=N/N=O
InChIInChI=1S/C6H13N5O/c7-5(8)3-1-2-4-6(9)10-11-12/h1-4H2,(H3,7,8)(H2,9,10,12)
InChIKeyYZDMYYUBNFQZBJ-UHFFFAOYSA-N
XLogP0.52
TPSA117.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

octadecanediimidamide;dihydrochloride
CID 24741615
8-amino-8-iminooctanoic acid
CID 139654610
(1,6-diamino-6-iminohexylidene)azanium
CID 156621618
7-hydroxyheptanimidamide;hydrochloride
CID 158249360
butanediimidamide;dihydrochloride
CID 88614640
hept-6-ynimidamide
CID 13205709
formic acid;octadecanimidamide
CID 160757976
(5-amino-5-iminopentyl) acetate
CID 54523282
4-amino-4-iminobutane-1-sulfonic acid
CID 71349118
4-methylsulfonylbutanimidamide
CID 63191598
5,5-dihydroxypentanimidamide
CID 87612742
4-N'-bromobutanediimidamide
CID 151621847

Frequently Asked Questions

What is the IUPAC name of 6-N'-nitrosohexanediimidamide?
The IUPAC name of 6-N'-nitrosohexanediimidamide (CID 143800377) is 6-N'-nitrosohexanediimidamide.
What is the SMILES notation for 6-N'-nitrosohexanediimidamide?
The canonical SMILES for 6-N'-nitrosohexanediimidamide is [H]/N=C(\N)CCCC/C(N)=N/N=O.
What is the InChIKey of 6-N'-nitrosohexanediimidamide?
The InChIKey is YZDMYYUBNFQZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c7-5(8)3-1-2-4-6(9)10-11-12/h1-4H2,(H3,7,8)(H2,9,10,12).
What are the key properties of 6-N'-nitrosohexanediimidamide?
6-N'-nitrosohexanediimidamide has a molecular weight of 171.20 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N'-nitrosohexanediimidamide is sourced from PubChem (CID 143800377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).