N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide

C9H14N2 — CID 160877342

IUPACN'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide
SMILESC/C(N)=N\C1C=CC=CC1C
InChIInChI=1S/C9H14N2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-7,9H,1-2H3,(H2,10,11)
InChIKeySMOMGGQNRRAXHH-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.49
Rot. Bonds1

About N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide

N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide (PubChem CID 160877342) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide
PubChem CID160877342
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide
SMILESC/C(N)=N\C1C=CC=CC1C
InChIInChI=1S/C9H14N2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-7,9H,1-2H3,(H2,10,11)
InChIKeySMOMGGQNRRAXHH-UHFFFAOYSA-N
XLogP1.49
TPSA38.38 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 ≤ 51.49
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

2-Methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 162544797
2-Methyl-4a,8a-dihydroquinazoline
CID 70258476
2-Methyl-2,3-dihydropyridin-6-amine
CID 89001586
7-Methyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 89038587
7aH-indol-2-amine
CID 89673272
2-(4-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 123579693
2-methyl-N'-propan-2-yloct-4-enimidamide
CID 123862547
2-Cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine
CID 123932039
(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
CID 130224282
N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide
CID 134368296
(E)-2-methyl-N'-propan-2-ylhex-4-enimidamide
CID 138624852
4-Methyl-4a,8a-dihydroquinolin-2-amine
CID 141770261

Frequently Asked Questions

What is the IUPAC name of N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide?
The IUPAC name of N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide (CID 160877342) is N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide.
What is the SMILES notation for N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide?
The canonical SMILES for N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide is C/C(N)=N\C1C=CC=CC1C.
What is the InChIKey of N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide?
The InChIKey is SMOMGGQNRRAXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-7,9H,1-2H3,(H2,10,11).
What are the key properties of N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide?
N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide is sourced from PubChem (CID 160877342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).