N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine

C10H18N2 — CID 129238407

IUPACN-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine
SMILESCCN(C)N1CC=CCC=C1C
InChIInChI=1S/C10H18N2/c1-4-11(3)12-9-7-5-6-8-10(12)2/h5,7-8H,4,6,9H2,1-3H3
InChIKeySVNGNVHCZWHQQD-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds2

About N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine

N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine (PubChem CID 129238407) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine.

Molecular Properties

Compound NameN-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine
PubChem CID129238407
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine
SMILESCCN(C)N1CC=CCC=C1C
InChIInChI=1S/C10H18N2/c1-4-11(3)12-9-7-5-6-8-10(12)2/h5,7-8H,4,6,9H2,1-3H3
InChIKeySVNGNVHCZWHQQD-UHFFFAOYSA-N
XLogP2.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
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-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine?
The IUPAC name of N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine (CID 129238407) is N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine.
What is the SMILES notation for N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine?
The canonical SMILES for N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine is CCN(C)N1CC=CCC=C1C.
What is the InChIKey of N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine?
The InChIKey is SVNGNVHCZWHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-11(3)12-9-7-5-6-8-10(12)2/h5,7-8H,4,6,9H2,1-3H3.
What are the key properties of N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine?
N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine is sourced from PubChem (CID 129238407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).