N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide

C9H14N2 — CID 89402555

IUPACN-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C1=CCCC=C1
InChIInChI=1S/C9H14N2/c1-8(10)11(2)9-6-4-3-5-7-9/h4,6-7,10H,3,5H2,1-2H3/b10-8+
InChIKeyIFLXKGFPCGKOII-CSKARUKUSA-N
MW150.22 g/mol
LogP2.15
Rot. Bonds1

About N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide

N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide (PubChem CID 89402555) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
PubChem CID89402555
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C1=CCCC=C1
InChIInChI=1S/C9H14N2/c1-8(10)11(2)9-6-4-3-5-7-9/h4,6-7,10H,3,5H2,1-2H3/b10-8+
InChIKeyIFLXKGFPCGKOII-CSKARUKUSA-N
XLogP2.15
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
1-But-1-en-2-ylpyridin-2-imine
CID 123544074
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
(Z)-3-amino-N-cyclohexa-2,4-dien-1-yl-N-methylprop-2-enimidamide
CID 136968678
2H-indolizin-3-imine
CID 141745189
1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine
CID 143109268
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
1-Methanimidoyl-6-propan-2-ylpyridin-2-imine
CID 145187993
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177
1-[(Z)-hex-2-enyl]-5-methylpyrazin-2-imine
CID 169948356
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide (CID 89402555) is N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide is [H]/N=C(\C)N(C)C1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide?
The InChIKey is IFLXKGFPCGKOII-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(10)11(2)9-6-4-3-5-7-9/h4,6-7,10H,3,5H2,1-2H3/b10-8+.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide?
N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide is sourced from PubChem (CID 89402555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).