1-(2H-azepin-5-yl)-N-methylmethanamine

C8H12N2 — CID 143096854

IUPAC1-(2H-azepin-5-yl)-N-methylmethanamine
SMILESCNCC1=CC=NCC=C1
InChIInChI=1S/C8H12N2/c1-9-7-8-3-2-5-10-6-4-8/h2-4,6,9H,5,7H2,1H3
InChIKeyREJRHRJMIGLNHP-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.77
Rot. Bonds2

About 1-(2H-azepin-5-yl)-N-methylmethanamine

1-(2H-azepin-5-yl)-N-methylmethanamine (PubChem CID 143096854) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(2H-azepin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2H-azepin-5-yl)-N-methylmethanamine
PubChem CID143096854
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(2H-azepin-5-yl)-N-methylmethanamine
SMILESCNCC1=CC=NCC=C1
InChIInChI=1S/C8H12N2/c1-9-7-8-3-2-5-10-6-4-8/h2-4,6,9H,5,7H2,1H3
InChIKeyREJRHRJMIGLNHP-UHFFFAOYSA-N
XLogP0.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-azepin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2H-azepin-5-yl)-N-methylmethanamine (CID 143096854) is 1-(2H-azepin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2H-azepin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2H-azepin-5-yl)-N-methylmethanamine is CNCC1=CC=NCC=C1.
What is the InChIKey of 1-(2H-azepin-5-yl)-N-methylmethanamine?
The InChIKey is REJRHRJMIGLNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-7-8-3-2-5-10-6-4-8/h2-4,6,9H,5,7H2,1H3.
What are the key properties of 1-(2H-azepin-5-yl)-N-methylmethanamine?
1-(2H-azepin-5-yl)-N-methylmethanamine has a molecular weight of 136.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-azepin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 143096854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).