3H-azepin-2-ylmethanamine

C7H10N2 — CID 142131682

IUPAC3H-azepin-2-ylmethanamine
SMILESNCC1=NC=CC=CC1
InChIInChI=1S/C7H10N2/c8-6-7-4-2-1-3-5-9-7/h1-3,5H,4,6,8H2
InChIKeyAQQWSJQFFNYSOK-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.86
Rot. Bonds1

About 3H-azepin-2-ylmethanamine

3H-azepin-2-ylmethanamine (PubChem CID 142131682) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3H-azepin-2-ylmethanamine.

Molecular Properties

Compound Name3H-azepin-2-ylmethanamine
PubChem CID142131682
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3H-azepin-2-ylmethanamine
SMILESNCC1=NC=CC=CC1
InChIInChI=1S/C7H10N2/c8-6-7-4-2-1-3-5-9-7/h1-3,5H,4,6,8H2
InChIKeyAQQWSJQFFNYSOK-UHFFFAOYSA-N
XLogP0.86
TPSA38.38 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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-azepin-2-ylmethanamine?
The IUPAC name of 3H-azepin-2-ylmethanamine (CID 142131682) is 3H-azepin-2-ylmethanamine.
What is the SMILES notation for 3H-azepin-2-ylmethanamine?
The canonical SMILES for 3H-azepin-2-ylmethanamine is NCC1=NC=CC=CC1.
What is the InChIKey of 3H-azepin-2-ylmethanamine?
The InChIKey is AQQWSJQFFNYSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-6-7-4-2-1-3-5-9-7/h1-3,5H,4,6,8H2.
What are the key properties of 3H-azepin-2-ylmethanamine?
3H-azepin-2-ylmethanamine has a molecular weight of 122.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-azepin-2-ylmethanamine is sourced from PubChem (CID 142131682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).