3-methyl-3H-azepin-6-amine

C7H10N2 — CID 143819259

IUPAC3-methyl-3H-azepin-6-amine
SMILESCC1C=CC(N)=CN=C1
InChIInChI=1S/C7H10N2/c1-6-2-3-7(8)5-9-4-6/h2-6H,8H2,1H3
InChIKeyHSKFVKBSQYVFBS-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.06
Rot. Bonds

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

3-methyl-3H-azepin-6-amine (PubChem CID 143819259) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-methyl-3H-azepin-6-amine.

Molecular Properties

Compound Name3-methyl-3H-azepin-6-amine
PubChem CID143819259
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-methyl-3H-azepin-6-amine
SMILESCC1C=CC(N)=CN=C1
InChIInChI=1S/C7H10N2/c1-6-2-3-7(8)5-9-4-6/h2-6H,8H2,1H3
InChIKeyHSKFVKBSQYVFBS-UHFFFAOYSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-azepin-6-amine?
The IUPAC name of 3-methyl-3H-azepin-6-amine (CID 143819259) is 3-methyl-3H-azepin-6-amine.
What is the SMILES notation for 3-methyl-3H-azepin-6-amine?
The canonical SMILES for 3-methyl-3H-azepin-6-amine is CC1C=CC(N)=CN=C1.
What is the InChIKey of 3-methyl-3H-azepin-6-amine?
The InChIKey is HSKFVKBSQYVFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-2-3-7(8)5-9-4-6/h2-6H,8H2,1H3.
What are the key properties of 3-methyl-3H-azepin-6-amine?
3-methyl-3H-azepin-6-amine has a molecular weight of 122.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-azepin-6-amine is sourced from PubChem (CID 143819259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).