N,N-dimethyl-1H-azepin-2-amine

C8H12N2 — CID 161056860

IUPACN,N-dimethyl-1H-azepin-2-amine
SMILESCN(C)C1=CC=CC=CN1
InChIInChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7-9-8/h3-7,9H,1-2H3
InChIKeyOGZHDHWDWPMNDG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.06
Rot. Bonds1

About N,N-dimethyl-1H-azepin-2-amine

N,N-dimethyl-1H-azepin-2-amine (PubChem CID 161056860) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N,N-dimethyl-1H-azepin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1H-azepin-2-amine
PubChem CID161056860
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN,N-dimethyl-1H-azepin-2-amine
SMILESCN(C)C1=CC=CC=CN1
InChIInChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7-9-8/h3-7,9H,1-2H3
InChIKeyOGZHDHWDWPMNDG-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-azepin-2-amine?
The IUPAC name of N,N-dimethyl-1H-azepin-2-amine (CID 161056860) is N,N-dimethyl-1H-azepin-2-amine.
What is the SMILES notation for N,N-dimethyl-1H-azepin-2-amine?
The canonical SMILES for N,N-dimethyl-1H-azepin-2-amine is CN(C)C1=CC=CC=CN1.
What is the InChIKey of N,N-dimethyl-1H-azepin-2-amine?
The InChIKey is OGZHDHWDWPMNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7-9-8/h3-7,9H,1-2H3.
What are the key properties of N,N-dimethyl-1H-azepin-2-amine?
N,N-dimethyl-1H-azepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-azepin-2-amine is sourced from PubChem (CID 161056860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).