4,6-dimethyl-4H-azepin-7-amine

C8H12N2 — CID 142076318

IUPAC4,6-dimethyl-4H-azepin-7-amine
SMILESCC1=CC(C)C=CN=C1N
InChIInChI=1S/C8H12N2/c1-6-3-4-10-8(9)7(2)5-6/h3-6H,1-2H3,(H2,9,10)
InChIKeyWXPYTXOINPLWNL-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 4,6-dimethyl-4H-azepin-7-amine

4,6-dimethyl-4H-azepin-7-amine (PubChem CID 142076318) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4,6-dimethyl-4H-azepin-7-amine.

Molecular Properties

Compound Name4,6-dimethyl-4H-azepin-7-amine
PubChem CID142076318
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4,6-dimethyl-4H-azepin-7-amine
SMILESCC1=CC(C)C=CN=C1N
InChIInChI=1S/C8H12N2/c1-6-3-4-10-8(9)7(2)5-6/h3-6H,1-2H3,(H2,9,10)
InChIKeyWXPYTXOINPLWNL-UHFFFAOYSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
4-methyl-4H-azepin-7-amine
CID 89012973
(E,2Z)-2-ethylidene-3-methyl-N'-[(E)-prop-1-enyl]hept-5-enimidamide
CID 89383546
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
5-ethyl-6-methyl-4H-azepin-7-amine
CID 91252481
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
5,5-Dimethylazepin-2-amine
CID 123272233
5-propyl-4H-azepin-7-amine
CID 123551109
3,5-Dimethyl-2,3-dihydropyridin-6-amine
CID 123590083
5-methyl-4H-azepin-7-amine
CID 123759208

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4H-azepin-7-amine?
The IUPAC name of 4,6-dimethyl-4H-azepin-7-amine (CID 142076318) is 4,6-dimethyl-4H-azepin-7-amine.
What is the SMILES notation for 4,6-dimethyl-4H-azepin-7-amine?
The canonical SMILES for 4,6-dimethyl-4H-azepin-7-amine is CC1=CC(C)C=CN=C1N.
What is the InChIKey of 4,6-dimethyl-4H-azepin-7-amine?
The InChIKey is WXPYTXOINPLWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-3-4-10-8(9)7(2)5-6/h3-6H,1-2H3,(H2,9,10).
What are the key properties of 4,6-dimethyl-4H-azepin-7-amine?
4,6-dimethyl-4H-azepin-7-amine has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4H-azepin-7-amine is sourced from PubChem (CID 142076318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).