N,2-dimethyl-3H-azepin-6-amine

C8H12N2 — CID 143431024

IUPACN,2-dimethyl-3H-azepin-6-amine
SMILESCNC1=CN=C(C)CC=C1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-8(9-2)6-10-7/h3,5-6,9H,4H2,1-2H3
InChIKeyAFARNHSKMWTCKW-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds1

About N,2-dimethyl-3H-azepin-6-amine

N,2-dimethyl-3H-azepin-6-amine (PubChem CID 143431024) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N,2-dimethyl-3H-azepin-6-amine.

Molecular Properties

Compound NameN,2-dimethyl-3H-azepin-6-amine
PubChem CID143431024
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN,2-dimethyl-3H-azepin-6-amine
SMILESCNC1=CN=C(C)CC=C1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-8(9-2)6-10-7/h3,5-6,9H,4H2,1-2H3
InChIKeyAFARNHSKMWTCKW-UHFFFAOYSA-N
XLogP1.47
TPSA24.39 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3H-azepin-6-amine?
The IUPAC name of N,2-dimethyl-3H-azepin-6-amine (CID 143431024) is N,2-dimethyl-3H-azepin-6-amine.
What is the SMILES notation for N,2-dimethyl-3H-azepin-6-amine?
The canonical SMILES for N,2-dimethyl-3H-azepin-6-amine is CNC1=CN=C(C)CC=C1.
What is the InChIKey of N,2-dimethyl-3H-azepin-6-amine?
The InChIKey is AFARNHSKMWTCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-3-5-8(9-2)6-10-7/h3,5-6,9H,4H2,1-2H3.
What are the key properties of N,2-dimethyl-3H-azepin-6-amine?
N,2-dimethyl-3H-azepin-6-amine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3H-azepin-6-amine is sourced from PubChem (CID 143431024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).