heptanimidoyl cyanide

C8H14N2 — CID 155128085

IUPACheptanimidoyl cyanide
SMILES[H]/N=C(\C#N)CCCCCC
InChIInChI=1S/C8H14N2/c1-2-3-4-5-6-8(10)7-9/h10H,2-6H2,1H3/b10-8-
InChIKeyYZFLLVWDXRXYFN-NTMALXAHSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds5

About heptanimidoyl cyanide

heptanimidoyl cyanide (PubChem CID 155128085) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is heptanimidoyl cyanide.

Molecular Properties

Compound Nameheptanimidoyl cyanide
PubChem CID155128085
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Nameheptanimidoyl cyanide
SMILES[H]/N=C(\C#N)CCCCCC
InChIInChI=1S/C8H14N2/c1-2-3-4-5-6-8(10)7-9/h10H,2-6H2,1H3/b10-8-
InChIKeyYZFLLVWDXRXYFN-NTMALXAHSA-N
XLogP2.50
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

henicosanoyl cyanide
CID 54273514
3-iminododecan-1-ol
CID 57239624
2-methylidenehexadecanenitrile
CID 15496090
2-(dicyanomethylidene)octyl-dimethylsulfanium
CID 139727733
N-carbamimidoyl-N-cyanooctadecanamide
CID 154089236
CID 11105912
CID 11105912
2-iminotetradecane-1-thiol
CID 167079244
2-iminohexadecanal
CID 142761147
4-oxododecanenitrile
CID 10943401
2-(2-methylprop-1-enylidene)nonanenitrile
CID 134995138
cyano octanoate
CID 88829134
heptan-2-imine;propane;tungsten
CID 57359574

Frequently Asked Questions

What is the IUPAC name of heptanimidoyl cyanide?
The IUPAC name of heptanimidoyl cyanide (CID 155128085) is heptanimidoyl cyanide.
What is the SMILES notation for heptanimidoyl cyanide?
The canonical SMILES for heptanimidoyl cyanide is [H]/N=C(\C#N)CCCCCC.
What is the InChIKey of heptanimidoyl cyanide?
The InChIKey is YZFLLVWDXRXYFN-NTMALXAHSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-5-6-8(10)7-9/h10H,2-6H2,1H3/b10-8-.
What are the key properties of heptanimidoyl cyanide?
heptanimidoyl cyanide has a molecular weight of 138.21 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptanimidoyl cyanide is sourced from PubChem (CID 155128085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).