N'-methylcyclohexa-1,5-diene-1-carboximidamide

C8H12N2 — CID 144914796

IUPACN'-methylcyclohexa-1,5-diene-1-carboximidamide
SMILESC/N=C(\N)C1=CCCC=C1
InChIInChI=1S/C8H12N2/c1-10-8(9)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10)
InChIKeyGFBNEQROTCCQDG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds1

About N'-methylcyclohexa-1,5-diene-1-carboximidamide

N'-methylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 144914796) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N'-methylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-methylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID144914796
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN'-methylcyclohexa-1,5-diene-1-carboximidamide
SMILESC/N=C(\N)C1=CCCC=C1
InChIInChI=1S/C8H12N2/c1-10-8(9)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10)
InChIKeyGFBNEQROTCCQDG-UHFFFAOYSA-N
XLogP1.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
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

N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
CID 145365910
1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
CID 142890408
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine
CID 143111173
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
methyl (2E)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylideneacetate
CID 170005054
2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169
5-buta-1,3-dien-2-yl-N'-methylcyclohexa-1,5-diene-1-carboximidamide
CID 145365892
4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexa-1,3-diene-1-carboxamide
CID 163929031
[(2S)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl] acetate
CID 155071152

Frequently Asked Questions

What is the IUPAC name of N'-methylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N'-methylcyclohexa-1,5-diene-1-carboximidamide (CID 144914796) is N'-methylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N'-methylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N'-methylcyclohexa-1,5-diene-1-carboximidamide is C/N=C(\N)C1=CCCC=C1.
What is the InChIKey of N'-methylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is GFBNEQROTCCQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-8(9)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10).
What are the key properties of N'-methylcyclohexa-1,5-diene-1-carboximidamide?
N'-methylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 136.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 144914796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).