N-(2-methylpropyl)but-2-enimidoyl cyanide

C9H14N2 — CID 123165582

IUPACN-(2-methylpropyl)but-2-enimidoyl cyanide
SMILESCC=C/C(C#N)=N/CC(C)C
InChIInChI=1S/C9H14N2/c1-4-5-9(6-10)11-7-8(2)3/h4-5,8H,7H2,1-3H3/b5-4?,11-9-
InChIKeyPROFOAPIDXAYRD-IGTYUACSSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds3

About N-(2-methylpropyl)but-2-enimidoyl cyanide

N-(2-methylpropyl)but-2-enimidoyl cyanide (PubChem CID 123165582) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-(2-methylpropyl)but-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-(2-methylpropyl)but-2-enimidoyl cyanide
PubChem CID123165582
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-(2-methylpropyl)but-2-enimidoyl cyanide
SMILESCC=C/C(C#N)=N/CC(C)C
InChIInChI=1S/C9H14N2/c1-4-5-9(6-10)11-7-8(2)3/h4-5,8H,7H2,1-3H3/b5-4?,11-9-
InChIKeyPROFOAPIDXAYRD-IGTYUACSSA-N
XLogP2.18
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
CID 67991669
3,6-Dimethyl-2,3-dihydropyridine
CID 68102669
5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
(3S)-3,6-dimethyl-2,3-dihydropyridine
CID 89130630
(Z)-N-ethyl-5-methylhex-3-en-2-imine
CID 90713903
(Z)-N,5-dimethylhex-3-en-2-imine
CID 91209243
N-ethylbut-2-enimidoyl cyanide
CID 91608759
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
5-Methylhex-3-en-2-ylidene(methylidene)azanium
CID 123144784
N-methylpenta-2,4-dienimidoyl cyanide
CID 123260837

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)but-2-enimidoyl cyanide?
The IUPAC name of N-(2-methylpropyl)but-2-enimidoyl cyanide (CID 123165582) is N-(2-methylpropyl)but-2-enimidoyl cyanide.
What is the SMILES notation for N-(2-methylpropyl)but-2-enimidoyl cyanide?
The canonical SMILES for N-(2-methylpropyl)but-2-enimidoyl cyanide is CC=C/C(C#N)=N/CC(C)C.
What is the InChIKey of N-(2-methylpropyl)but-2-enimidoyl cyanide?
The InChIKey is PROFOAPIDXAYRD-IGTYUACSSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-9(6-10)11-7-8(2)3/h4-5,8H,7H2,1-3H3/b5-4?,11-9-.
What are the key properties of N-(2-methylpropyl)but-2-enimidoyl cyanide?
N-(2-methylpropyl)but-2-enimidoyl cyanide has a molecular weight of 150.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)but-2-enimidoyl cyanide is sourced from PubChem (CID 123165582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).