(3-methyl-3H-azepin-7-yl)methanamine

C8H12N2 — CID 144539781

IUPAC(3-methyl-3H-azepin-7-yl)methanamine
SMILESCC1C=CC=C(CN)N=C1
InChIInChI=1S/C8H12N2/c1-7-3-2-4-8(5-9)10-6-7/h2-4,6-7H,5,9H2,1H3
InChIKeyGOKHNNOZYICVTM-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.11
Rot. Bonds1

About (3-methyl-3H-azepin-7-yl)methanamine

(3-methyl-3H-azepin-7-yl)methanamine (PubChem CID 144539781) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (3-methyl-3H-azepin-7-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-3H-azepin-7-yl)methanamine
PubChem CID144539781
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(3-methyl-3H-azepin-7-yl)methanamine
SMILESCC1C=CC=C(CN)N=C1
InChIInChI=1S/C8H12N2/c1-7-3-2-4-8(5-9)10-6-7/h2-4,6-7H,5,9H2,1H3
InChIKeyGOKHNNOZYICVTM-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.11
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-7-yl)methanamine?
The IUPAC name of (3-methyl-3H-azepin-7-yl)methanamine (CID 144539781) is (3-methyl-3H-azepin-7-yl)methanamine.
What is the SMILES notation for (3-methyl-3H-azepin-7-yl)methanamine?
The canonical SMILES for (3-methyl-3H-azepin-7-yl)methanamine is CC1C=CC=C(CN)N=C1.
What is the InChIKey of (3-methyl-3H-azepin-7-yl)methanamine?
The InChIKey is GOKHNNOZYICVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-3-2-4-8(5-9)10-6-7/h2-4,6-7H,5,9H2,1H3.
What are the key properties of (3-methyl-3H-azepin-7-yl)methanamine?
(3-methyl-3H-azepin-7-yl)methanamine has a molecular weight of 136.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3H-azepin-7-yl)methanamine is sourced from PubChem (CID 144539781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).