N'-methyl-4H-azepine-3-carboximidamide

C8H11N3 — CID 153397424

IUPACN'-methyl-4H-azepine-3-carboximidamide
SMILESC/N=C(\N)C1=CN=CC=CC1
InChIInChI=1S/C8H11N3/c1-10-8(9)7-4-2-3-5-11-6-7/h2-3,5-6H,4H2,1H3,(H2,9,10)
InChIKeyJSSMXBUGKNWLAB-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.89
Rot. Bonds1

About N'-methyl-4H-azepine-3-carboximidamide

N'-methyl-4H-azepine-3-carboximidamide (PubChem CID 153397424) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N'-methyl-4H-azepine-3-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4H-azepine-3-carboximidamide
PubChem CID153397424
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN'-methyl-4H-azepine-3-carboximidamide
SMILESC/N=C(\N)C1=CN=CC=CC1
InChIInChI=1S/C8H11N3/c1-10-8(9)7-4-2-3-5-11-6-7/h2-3,5-6H,4H2,1H3,(H2,9,10)
InChIKeyJSSMXBUGKNWLAB-UHFFFAOYSA-N
XLogP0.89
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
5-ethyl-6-methyl-4H-azepin-7-amine
CID 91252481
N-(3-methylbut-3-enyl)-3,4-dihydroazepin-2-imine
CID 123185222
N-propyl-3,4-dihydroazepin-2-imine
CID 123326575
5-propyl-4H-azepin-7-amine
CID 123551109
5-methyl-4H-azepin-7-amine
CID 123759208
(E)-N'-[(Z)-prop-1-enyl]-2-propylpent-2-enimidamide
CID 129060096
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridin-2-amine
CID 129060105
(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide
CID 134224060
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
4,6-dimethyl-4H-azepin-7-amine
CID 142076318
3-methyl-4H-azepin-7-amine
CID 142163247

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4H-azepine-3-carboximidamide?
The IUPAC name of N'-methyl-4H-azepine-3-carboximidamide (CID 153397424) is N'-methyl-4H-azepine-3-carboximidamide.
What is the SMILES notation for N'-methyl-4H-azepine-3-carboximidamide?
The canonical SMILES for N'-methyl-4H-azepine-3-carboximidamide is C/N=C(\N)C1=CN=CC=CC1.
What is the InChIKey of N'-methyl-4H-azepine-3-carboximidamide?
The InChIKey is JSSMXBUGKNWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-10-8(9)7-4-2-3-5-11-6-7/h2-3,5-6H,4H2,1H3,(H2,9,10).
What are the key properties of N'-methyl-4H-azepine-3-carboximidamide?
N'-methyl-4H-azepine-3-carboximidamide has a molecular weight of 149.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4H-azepine-3-carboximidamide is sourced from PubChem (CID 153397424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).