2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine

C11H19N3 — CID 143094160

IUPAC2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine
SMILESCCN(C)CC/N=C1\C=CCC=CN1
InChIInChI=1S/C11H19N3/c1-3-14(2)10-9-13-11-7-5-4-6-8-12-11/h5-8H,3-4,9-10H2,1-2H3,(H,12,13)
InChIKeyKQRNALSJMPQPFZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.40
Rot. Bonds4

About 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine

2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine (PubChem CID 143094160) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine
PubChem CID143094160
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine
SMILESCCN(C)CC/N=C1\C=CCC=CN1
InChIInChI=1S/C11H19N3/c1-3-14(2)10-9-13-11-7-5-4-6-8-12-11/h5-8H,3-4,9-10H2,1-2H3,(H,12,13)
InChIKeyKQRNALSJMPQPFZ-UHFFFAOYSA-N
XLogP1.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-piperazin-1-yl-4H-azepine
CID 54476477
2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
CID 57177363
N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
CID 123457161
2-but-1-enyl-1-methyl-1H-imidazol-1-ium bromide
CID 140655013
ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
CID 142116842
N-methyl-1,4-dihydroazepin-7-imine
CID 142116843
2-(1,4-Dihydroazepin-7-ylideneamino)ethanamine;ethane
CID 142256419
N,5-dimethyl-1,4-dihydroazepin-7-imine
CID 142348306
(Z)-N-ethyl-N',3-dimethyl-N-[2-(methylamino)ethyl]pent-2-enimidamide
CID 142398174
ethanamine;(Z)-N-ethyl-N'-methylpent-2-enimidamide
CID 143576284
(Z)-N-ethyl-N'-methylpent-2-enimidamide
CID 143576285
(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
CID 144562517

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine (CID 143094160) is 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine is CCN(C)CC/N=C1\C=CCC=CN1.
What is the InChIKey of 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine?
The InChIKey is KQRNALSJMPQPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14(2)10-9-13-11-7-5-4-6-8-12-11/h5-8H,3-4,9-10H2,1-2H3,(H,12,13).
What are the key properties of 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine?
2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 143094160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).