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

C10H19N3 — CID 142256419

IUPAC2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane
SMILESCC.NCC/N=C1\C=CCC=CN1
InChIInChI=1S/C8H13N3.C2H6/c9-5-7-11-8-4-2-1-3-6-10-8;1-2/h2-4,6H,1,5,7,9H2,(H,10,11);1-2H3
InChIKeyZAHDYCUWSSQYTQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds2

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

2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane (PubChem CID 142256419) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane.

Molecular Properties

Compound Name2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane
PubChem CID142256419
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane
SMILESCC.NCC/N=C1\C=CCC=CN1
InChIInChI=1S/C8H13N3.C2H6/c9-5-7-11-8-4-2-1-3-6-10-8;1-2/h2-4,6H,1,5,7,9H2,(H,10,11);1-2H3
InChIKeyZAHDYCUWSSQYTQ-UHFFFAOYSA-N
XLogP1.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
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

N-butyl-1,3-dihydroazepin-2-imine
CID 137197350
N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
CID 123457161
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
CID 129302968
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
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;(Z)-N-ethenyl-N'-methylbut-2-enimidamide
CID 142116841
ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
CID 142116842
N-methyl-1,4-dihydroazepin-7-imine
CID 142116843
N,5-dimethyl-1,4-dihydroazepin-7-imine
CID 142348306
N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane
CID 142554408

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane?
The IUPAC name of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane (CID 142256419) is 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane.
What is the SMILES notation for 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane?
The canonical SMILES for 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane is CC.NCC/N=C1\C=CCC=CN1.
What is the InChIKey of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane?
The InChIKey is ZAHDYCUWSSQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c9-5-7-11-8-4-2-1-3-6-10-8;1-2/h2-4,6H,1,5,7,9H2,(H,10,11);1-2H3.
What are the key properties of 2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane?
2-(1,4-dihydroazepin-7-ylideneamino)ethanamine;ethane has a molecular weight of 181.28 g/mol, XLogP of 1.43, 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;ethane is sourced from PubChem (CID 142256419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).