2-(1,4-dihydroazepin-7-ylideneamino)ethanamine

C8H13N3 — CID 142256420

IUPAC2-(1,4-dihydroazepin-7-ylideneamino)ethanamine
SMILESNCC/N=C1\C=CCC=CN1
InChIInChI=1S/C8H13N3/c9-5-7-11-8-4-2-1-3-6-10-8/h2-4,6H,1,5,7,9H2,(H,10,11)
InChIKeyUVVLXXLKTRQCLZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.41
Rot. Bonds2

About 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine

2-(1,4-dihydroazepin-7-ylideneamino)ethanamine (PubChem CID 142256420) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine.

Molecular Properties

Compound Name2-(1,4-dihydroazepin-7-ylideneamino)ethanamine
PubChem CID142256420
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-(1,4-dihydroazepin-7-ylideneamino)ethanamine
SMILESNCC/N=C1\C=CCC=CN1
InChIInChI=1S/C8H13N3/c9-5-7-11-8-4-2-1-3-6-10-8/h2-4,6H,1,5,7,9H2,(H,10,11)
InChIKeyUVVLXXLKTRQCLZ-UHFFFAOYSA-N
XLogP0.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4H-azepin-7-amine
CID 54474925
7-piperazin-1-yl-4H-azepine
CID 54476477
5-N-methyl-4H-azepine-5,6,7-triamine
CID 137396607
(Z)-N'-but-3-enyl-3-(methylamino)prop-2-enimidamide
CID 137476929
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
2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine
CID 143094160
(Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide
CID 155070878
N,5,5-trimethyl-1H-azepin-2-imine
CID 155382402

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine?
The IUPAC name of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine (CID 142256420) is 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine.
What is the SMILES notation for 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine?
The canonical SMILES for 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine is NCC/N=C1\C=CCC=CN1.
What is the InChIKey of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine?
The InChIKey is UVVLXXLKTRQCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-5-7-11-8-4-2-1-3-6-10-8/h2-4,6H,1,5,7,9H2,(H,10,11).
What are the key properties of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine?
2-(1,4-dihydroazepin-7-ylideneamino)ethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine is sourced from PubChem (CID 142256420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).