N,5-dimethyl-1,4-dihydroazepin-7-imine

C8H12N2 — CID 142348306

IUPACN,5-dimethyl-1,4-dihydroazepin-7-imine
SMILESC/N=C1\C=C(C)CC=CN1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-10-8(6-7)9-2/h3,5-6H,4H2,1-2H3,(H,9,10)
InChIKeyDTUORZOEDPVQLT-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds

About N,5-dimethyl-1,4-dihydroazepin-7-imine

N,5-dimethyl-1,4-dihydroazepin-7-imine (PubChem CID 142348306) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N,5-dimethyl-1,4-dihydroazepin-7-imine.

Molecular Properties

Compound NameN,5-dimethyl-1,4-dihydroazepin-7-imine
PubChem CID142348306
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN,5-dimethyl-1,4-dihydroazepin-7-imine
SMILESC/N=C1\C=C(C)CC=CN1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-10-8(6-7)9-2/h3,5-6H,4H2,1-2H3,(H,9,10)
InChIKeyDTUORZOEDPVQLT-UHFFFAOYSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3Z)-3-(1-amino-1-fluoroethyl)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357033
5-ethyl-6-methyl-4H-azepin-7-amine
CID 91252481
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
5-propyl-4H-azepin-7-amine
CID 123551109
2-N,2-N,5-trimethylazepine-2,5-diamine
CID 123646662
5-methyl-4H-azepin-7-amine
CID 123759208
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
CID 129302968
N-ethenyl-N'-[(1Z,3E)-2-ethyl-3-methylhexa-1,3,5-trienyl]ethanimidamide
CID 132170857
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine
CID 136614238

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,4-dihydroazepin-7-imine?
The IUPAC name of N,5-dimethyl-1,4-dihydroazepin-7-imine (CID 142348306) is N,5-dimethyl-1,4-dihydroazepin-7-imine.
What is the SMILES notation for N,5-dimethyl-1,4-dihydroazepin-7-imine?
The canonical SMILES for N,5-dimethyl-1,4-dihydroazepin-7-imine is C/N=C1\C=C(C)CC=CN1.
What is the InChIKey of N,5-dimethyl-1,4-dihydroazepin-7-imine?
The InChIKey is DTUORZOEDPVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-3-5-10-8(6-7)9-2/h3,5-6H,4H2,1-2H3,(H,9,10).
What are the key properties of N,5-dimethyl-1,4-dihydroazepin-7-imine?
N,5-dimethyl-1,4-dihydroazepin-7-imine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,4-dihydroazepin-7-imine is sourced from PubChem (CID 142348306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).