6-imino-3-methyl-2H-azepin-3-amine

C7H11N3 — CID 123670474

IUPAC6-imino-3-methyl-2H-azepin-3-amine
SMILES[H]/N=C1/C=CC(C)(N)CN=C1
InChIInChI=1S/C7H11N3/c1-7(9)3-2-6(8)4-10-5-7/h2-4,8H,5,9H2,1H3/b8-6-
InChIKeyCJTPFQZXZKAUGT-VURMDHGXSA-N
MW137.19 g/mol
LogP0.36
Rot. Bonds

About 6-imino-3-methyl-2H-azepin-3-amine

6-imino-3-methyl-2H-azepin-3-amine (PubChem CID 123670474) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 6-imino-3-methyl-2H-azepin-3-amine.

Molecular Properties

Compound Name6-imino-3-methyl-2H-azepin-3-amine
PubChem CID123670474
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name6-imino-3-methyl-2H-azepin-3-amine
SMILES[H]/N=C1/C=CC(C)(N)CN=C1
InChIInChI=1S/C7H11N3/c1-7(9)3-2-6(8)4-10-5-7/h2-4,8H,5,9H2,1H3/b8-6-
InChIKeyCJTPFQZXZKAUGT-VURMDHGXSA-N
XLogP0.36
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylazepin-4-amine
CID 69476902
3-Amino-3-methylpyridine
CID 89174215
3,3-dimethyl-2H-azepin-6-imine
CID 90915516
4,7,7-trimethyl-3H-azepin-4-amine
CID 123535887
1-N-[(Z)-2-methylpent-3-en-2-yl]propane-1,2-diimine
CID 141810479
4-Methyldiazepin-4-amine
CID 144044670
3-methyl-2H-pyridine-2,3-diamine
CID 154105183
(4S)-4-methyldiazepin-4-amine
CID 163881770

Frequently Asked Questions

What is the IUPAC name of 6-imino-3-methyl-2H-azepin-3-amine?
The IUPAC name of 6-imino-3-methyl-2H-azepin-3-amine (CID 123670474) is 6-imino-3-methyl-2H-azepin-3-amine.
What is the SMILES notation for 6-imino-3-methyl-2H-azepin-3-amine?
The canonical SMILES for 6-imino-3-methyl-2H-azepin-3-amine is [H]/N=C1/C=CC(C)(N)CN=C1.
What is the InChIKey of 6-imino-3-methyl-2H-azepin-3-amine?
The InChIKey is CJTPFQZXZKAUGT-VURMDHGXSA-N. The full InChI is InChI=1S/C7H11N3/c1-7(9)3-2-6(8)4-10-5-7/h2-4,8H,5,9H2,1H3/b8-6-.
What are the key properties of 6-imino-3-methyl-2H-azepin-3-amine?
6-imino-3-methyl-2H-azepin-3-amine has a molecular weight of 137.19 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3-methyl-2H-azepin-3-amine is sourced from PubChem (CID 123670474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).