ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine

C13H24N2 — CID 142470847

IUPACethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
SMILESCC.CC.[H]/N=C1\C=CCC=CN1/C=C\C
InChIInChI=1S/C9H12N2.2C2H6/c1-2-7-11-8-5-3-4-6-9(11)10;2*1-2/h2,4-8,10H,3H2,1H3;2*1-2H3/b7-2-,10-9+;;
InChIKeyXHNKUEFNVWMWNT-MNMOYKGUSA-N
MW208.35 g/mol
LogP4.33
Rot. Bonds1

About ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine

ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine (PubChem CID 142470847) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine.

Molecular Properties

Compound Nameethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
PubChem CID142470847
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
SMILESCC.CC.[H]/N=C1\C=CCC=CN1/C=C\C
InChIInChI=1S/C9H12N2.2C2H6/c1-2-7-11-8-5-3-4-6-9(11)10;2*1-2/h2,4-8,10H,3H2,1H3;2*1-2H3/b7-2-,10-9+;;
InChIKeyXHNKUEFNVWMWNT-MNMOYKGUSA-N
XLogP4.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine
CID 90136917
N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 118674850
(3Z,5Z,8Z)-2-methyl-1-[(Z)-prop-1-enyl]-2,7-dihydroazecin-10-imine
CID 121285254
N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]prop-2-enimidamide
CID 132198310
ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
CID 142116842
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 142470851
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 142516296
5-methyl-1-[(E)-prop-1-enyl]pyridin-2-imine
CID 143545210
ethane;N-ethenyl-N-methylprop-2-enimidamide
CID 143801655
N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane
CID 144672572
ethane;5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
CID 144812786
N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane
CID 145001551

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
The IUPAC name of ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine (CID 142470847) is ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine.
What is the SMILES notation for ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
The canonical SMILES for ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine is CC.CC.[H]/N=C1\C=CCC=CN1/C=C\C.
What is the InChIKey of ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
The InChIKey is XHNKUEFNVWMWNT-MNMOYKGUSA-N. The full InChI is InChI=1S/C9H12N2.2C2H6/c1-2-7-11-8-5-3-4-6-9(11)10;2*1-2/h2,4-8,10H,3H2,1H3;2*1-2H3/b7-2-,10-9+;;.
What are the key properties of ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine has a molecular weight of 208.35 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine is sourced from PubChem (CID 142470847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).