1-(2H-azepin-3-yl)ethanimine

C8H10N2 — CID 145130271

IUPAC1-(2H-azepin-3-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=CC=NC1
InChIInChI=1S/C8H10N2/c1-7(9)8-4-2-3-5-10-6-8/h2-5,9H,6H2,1H3/b9-7+
InChIKeyOSWXUFCPFSNGQP-VQHVLOKHSA-N
MW134.18 g/mol
LogP1.59
Rot. Bonds1

About 1-(2H-azepin-3-yl)ethanimine

1-(2H-azepin-3-yl)ethanimine (PubChem CID 145130271) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(2H-azepin-3-yl)ethanimine.

Molecular Properties

Compound Name1-(2H-azepin-3-yl)ethanimine
PubChem CID145130271
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-(2H-azepin-3-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=CC=NC1
InChIInChI=1S/C8H10N2/c1-7(9)8-4-2-3-5-10-6-8/h2-5,9H,6H2,1H3/b9-7+
InChIKeyOSWXUFCPFSNGQP-VQHVLOKHSA-N
XLogP1.59
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2H-azepine
CID 68405224
5,6-dimethyl-2H-azepine
CID 88993608
4-methyl-2H-pyridin-3-imine
CID 89382802
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
3,3-dimethyl-2H-azepin-6-imine
CID 90915516
3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
CID 90957874
(8Z)-8-butylidene-6,7-didehydro-3H-benzo[b]azepin-9-imine
CID 91112646
2,2,5-Trimethylazepine
CID 91441011
2H-azepin-5-ylmethanamine
CID 91465230
3,7-dimethyl-2H-azepine
CID 118552740
(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine
CID 118901632
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124

Frequently Asked Questions

What is the IUPAC name of 1-(2H-azepin-3-yl)ethanimine?
The IUPAC name of 1-(2H-azepin-3-yl)ethanimine (CID 145130271) is 1-(2H-azepin-3-yl)ethanimine.
What is the SMILES notation for 1-(2H-azepin-3-yl)ethanimine?
The canonical SMILES for 1-(2H-azepin-3-yl)ethanimine is [H]/N=C(\C)C1=CC=CC=NC1.
What is the InChIKey of 1-(2H-azepin-3-yl)ethanimine?
The InChIKey is OSWXUFCPFSNGQP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2/c1-7(9)8-4-2-3-5-10-6-8/h2-5,9H,6H2,1H3/b9-7+.
What are the key properties of 1-(2H-azepin-3-yl)ethanimine?
1-(2H-azepin-3-yl)ethanimine has a molecular weight of 134.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-azepin-3-yl)ethanimine is sourced from PubChem (CID 145130271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).