2,4-dimethyl-4H-azepin-7-amine

C8H12N2 — CID 91441162

IUPAC2,4-dimethyl-4H-azepin-7-amine
SMILESCC1=CC(C)C=CC(N)=N1
InChIInChI=1S/C8H12N2/c1-6-3-4-8(9)10-7(2)5-6/h3-6H,1-2H3,(H2,9,10)
InChIKeyXGIBPJHPFCCWME-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 2,4-dimethyl-4H-azepin-7-amine

2,4-dimethyl-4H-azepin-7-amine (PubChem CID 91441162) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,4-dimethyl-4H-azepin-7-amine.

Molecular Properties

Compound Name2,4-dimethyl-4H-azepin-7-amine
PubChem CID91441162
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,4-dimethyl-4H-azepin-7-amine
SMILESCC1=CC(C)C=CC(N)=N1
InChIInChI=1S/C8H12N2/c1-6-3-4-8(9)10-7(2)5-6/h3-6H,1-2H3,(H2,9,10)
InChIKeyXGIBPJHPFCCWME-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

7,7-Dimethylazepin-2-amine
CID 67756668
2-methyl-4H-azepin-7-amine
CID 68040634
4-methyl-4H-azepin-7-amine
CID 89012973
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
(2Z)-N',4-dimethylhexa-2,5-dienimidamide
CID 123486543
4-ethyl-2,5-dimethyl-4H-azepin-7-amine
CID 123748203
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275
(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridin-2-amine
CID 134444287
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
CID 134444323
N'-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]ethanimidamide
CID 138567465

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-azepin-7-amine?
The IUPAC name of 2,4-dimethyl-4H-azepin-7-amine (CID 91441162) is 2,4-dimethyl-4H-azepin-7-amine.
What is the SMILES notation for 2,4-dimethyl-4H-azepin-7-amine?
The canonical SMILES for 2,4-dimethyl-4H-azepin-7-amine is CC1=CC(C)C=CC(N)=N1.
What is the InChIKey of 2,4-dimethyl-4H-azepin-7-amine?
The InChIKey is XGIBPJHPFCCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-3-4-8(9)10-7(2)5-6/h3-6H,1-2H3,(H2,9,10).
What are the key properties of 2,4-dimethyl-4H-azepin-7-amine?
2,4-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 2,4-dimethyl-4H-azepin-7-amine is sourced from PubChem (CID 91441162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).