6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine

C10H12N2 — CID 134482807

IUPAC6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine
SMILESC/C=C/N=c1\cccc(C)cn1
InChIInChI=1S/C10H12N2/c1-3-7-11-10-6-4-5-9(2)8-12-10/h3-8H,1-2H3/b7-3+,11-10+
InChIKeyHZXGYVSLESKKIQ-LRPGZYIXSA-N
MW160.22 g/mol
LogP1.82
Rot. Bonds1

About 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine

6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine (PubChem CID 134482807) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine.

Molecular Properties

Compound Name6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine
PubChem CID134482807
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine
SMILESC/C=C/N=c1\cccc(C)cn1
InChIInChI=1S/C10H12N2/c1-3-7-11-10-6-4-5-9(2)8-12-10/h3-8H,1-2H3/b7-3+,11-10+
InChIKeyHZXGYVSLESKKIQ-LRPGZYIXSA-N
XLogP1.82
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-2-enylideneprop-2-enimidamide
CID 89278504
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide
CID 130434344
N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide
CID 137496565
N-[(Z)-2-methylbut-2-enylidene]-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 142396743
ethane;6H-pyrido[2,3-b]azepine
CID 143294948
6H-pyrido[2,3-b]azepine
CID 143294949
(E)-N'-methyl-N-methylidene-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enimidamide
CID 143824134
3-methylidene-N-[(Z)-prop-1-enyl]pyridin-2-imine
CID 146418825
(3Z)-3-ethylidene-N-[(Z)-prop-1-enyl]pyridin-2-imine
CID 146559726
6-methyl-6H-pyrido[2,3-b]azepine
CID 153611295
6,6-Dimethylpyrido[2,3-b]azepine
CID 154549840

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine?
The IUPAC name of 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine (CID 134482807) is 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine.
What is the SMILES notation for 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine?
The canonical SMILES for 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine is C/C=C/N=c1\cccc(C)cn1.
What is the InChIKey of 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine?
The InChIKey is HZXGYVSLESKKIQ-LRPGZYIXSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-7-11-10-6-4-5-9(2)8-12-10/h3-8H,1-2H3/b7-3+,11-10+.
What are the key properties of 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine?
6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine has a molecular weight of 160.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(E)-prop-1-enyl]azepin-2-imine is sourced from PubChem (CID 134482807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).