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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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).