N-methyl-4H-azepin-3-amine

C7H10N2 — CID 142969725

IUPACN-methyl-4H-azepin-3-amine
SMILESCNC1=CN=CC=CC1
InChIInChI=1S/C7H10N2/c1-8-7-4-2-3-5-9-6-7/h2-3,5-6,8H,4H2,1H3
InChIKeyGSFKNWPLYBOMGC-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.08
Rot. Bonds1

About N-methyl-4H-azepin-3-amine

N-methyl-4H-azepin-3-amine (PubChem CID 142969725) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-methyl-4H-azepin-3-amine.

Molecular Properties

Compound NameN-methyl-4H-azepin-3-amine
PubChem CID142969725
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-methyl-4H-azepin-3-amine
SMILESCNC1=CN=CC=CC1
InChIInChI=1S/C7H10N2/c1-8-7-4-2-3-5-9-6-7/h2-3,5-6,8H,4H2,1H3
InChIKeyGSFKNWPLYBOMGC-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4H-azepin-3-amine?
The IUPAC name of N-methyl-4H-azepin-3-amine (CID 142969725) is N-methyl-4H-azepin-3-amine.
What is the SMILES notation for N-methyl-4H-azepin-3-amine?
The canonical SMILES for N-methyl-4H-azepin-3-amine is CNC1=CN=CC=CC1.
What is the InChIKey of N-methyl-4H-azepin-3-amine?
The InChIKey is GSFKNWPLYBOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-8-7-4-2-3-5-9-6-7/h2-3,5-6,8H,4H2,1H3.
What are the key properties of N-methyl-4H-azepin-3-amine?
N-methyl-4H-azepin-3-amine has a molecular weight of 122.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4H-azepin-3-amine is sourced from PubChem (CID 142969725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).