azepin-3-imine

C6H6N2 — CID 123528648

IUPACazepin-3-imine
SMILES[H]/N=c1\ccccnc1
InChIInChI=1S/C6H6N2/c7-6-3-1-2-4-8-5-6/h1-5,7H/b7-6+
InChIKeyYOANAYDKSQUMRW-VOTSOKGWSA-N
MW106.13 g/mol
LogP0.56
Rot. Bonds

About azepin-3-imine

azepin-3-imine (PubChem CID 123528648) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is azepin-3-imine.

Molecular Properties

Compound Nameazepin-3-imine
PubChem CID123528648
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Nameazepin-3-imine
SMILES[H]/N=c1\ccccnc1
InChIInChI=1S/C6H6N2/c7-6-3-1-2-4-8-5-6/h1-5,7H/b7-6+
InChIKeyYOANAYDKSQUMRW-VOTSOKGWSA-N
XLogP0.56
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Azepine
CID 21672373
2-deuterio-3H-azepine
CID 56631948
2,6-Dihydroazepin-3-imine
CID 57316147
(Z)-1-N-ethenylpent-3-ene-1,2-diimine
CID 123703695
3H-azepine-4,5-diamine
CID 131972387
ethane;(6-ethenyl-7-methyl-4H-azepin-5-yl)methanimine
CID 142030670
3H-azepin-2-ylmethanamine
CID 142131682
2,4-dideuterio-3H-azepine
CID 152115294
3H-azepin-3-amine
CID 167246423
(Z)-4-[(3Z,5E,7E)-4-methylazocin-3-yl]but-3-en-2-imine
CID 168165351
(Z)-N'-ethenyl-4-methylidenepent-2-ene-1,5-diimine
CID 169810244
N-(azepin-3-ylidene)hydroxylamine
CID 174525817

Frequently Asked Questions

What is the IUPAC name of azepin-3-imine?
The IUPAC name of azepin-3-imine (CID 123528648) is azepin-3-imine.
What is the SMILES notation for azepin-3-imine?
The canonical SMILES for azepin-3-imine is [H]/N=c1\ccccnc1.
What is the InChIKey of azepin-3-imine?
The InChIKey is YOANAYDKSQUMRW-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H6N2/c7-6-3-1-2-4-8-5-6/h1-5,7H/b7-6+.
What are the key properties of azepin-3-imine?
azepin-3-imine has a molecular weight of 106.13 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepin-3-imine is sourced from PubChem (CID 123528648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).