N,1,6-trimethyl-2,5-dihydroazepin-2-amine

C9H16N2 — CID 130413121

IUPACN,1,6-trimethyl-2,5-dihydroazepin-2-amine
SMILESCNC1C=CCC(C)=CN1C
InChIInChI=1S/C9H16N2/c1-8-5-4-6-9(10-2)11(3)7-8/h4,6-7,9-10H,5H2,1-3H3
InChIKeyUNGXGTAFKMXZIY-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.33
Rot. Bonds1

About N,1,6-trimethyl-2,5-dihydroazepin-2-amine

N,1,6-trimethyl-2,5-dihydroazepin-2-amine (PubChem CID 130413121) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,1,6-trimethyl-2,5-dihydroazepin-2-amine.

Molecular Properties

Compound NameN,1,6-trimethyl-2,5-dihydroazepin-2-amine
PubChem CID130413121
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,1,6-trimethyl-2,5-dihydroazepin-2-amine
SMILESCNC1C=CCC(C)=CN1C
InChIInChI=1S/C9H16N2/c1-8-5-4-6-9(10-2)11(3)7-8/h4,6-7,9-10H,5H2,1-3H3
InChIKeyUNGXGTAFKMXZIY-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,6-trimethyl-2,5-dihydroazepin-2-amine?
The IUPAC name of N,1,6-trimethyl-2,5-dihydroazepin-2-amine (CID 130413121) is N,1,6-trimethyl-2,5-dihydroazepin-2-amine.
What is the SMILES notation for N,1,6-trimethyl-2,5-dihydroazepin-2-amine?
The canonical SMILES for N,1,6-trimethyl-2,5-dihydroazepin-2-amine is CNC1C=CCC(C)=CN1C.
What is the InChIKey of N,1,6-trimethyl-2,5-dihydroazepin-2-amine?
The InChIKey is UNGXGTAFKMXZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-4-6-9(10-2)11(3)7-8/h4,6-7,9-10H,5H2,1-3H3.
What are the key properties of N,1,6-trimethyl-2,5-dihydroazepin-2-amine?
N,1,6-trimethyl-2,5-dihydroazepin-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,6-trimethyl-2,5-dihydroazepin-2-amine is sourced from PubChem (CID 130413121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).