ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen

C9H18N2 — CID 142116842

IUPACethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
SMILESC/N=C1\C=CCC=CN1.CC.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c1-8-7-5-3-2-4-6-9-7;1-2;/h3-6H,2H2,1H3,(H,8,9);1-2H3;1H
InChIKeyBXIFOXJZGUFBMM-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.35
Rot. Bonds

About ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen

ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen (PubChem CID 142116842) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
PubChem CID142116842
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
SMILESC/N=C1\C=CCC=CN1.CC.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c1-8-7-5-3-2-4-6-9-7;1-2;/h3-6H,2H2,1H3,(H,8,9);1-2H3;1H
InChIKeyBXIFOXJZGUFBMM-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.35
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

4H-azepin-7-amine
CID 54474925
N-butyl-1,3-dihydroazepin-2-imine
CID 137197350
N-methyl-1,3-dihydroazepin-2-imine
CID 136209100
(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
CID 91013982
N,N'-dimethylpent-2-enimidamide
CID 123169307
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
2-N,2-N,5-trimethylazepine-2,5-diamine
CID 123646662
(E)-N-ethenyl-N'-methylbut-2-enimidamide
CID 123748127
2-methyl-4,5-dihydro-1H-1,3-diazepine
CID 123928713
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
CID 129302968
(Z)-N-ethenyl-N'-methylbut-2-enimidamide
CID 132125320
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen?
The IUPAC name of ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen (CID 142116842) is ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen.
What is the SMILES notation for ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen?
The canonical SMILES for ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen is C/N=C1\C=CCC=CN1.CC.[H][H].
What is the InChIKey of ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen?
The InChIKey is BXIFOXJZGUFBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6.H2/c1-8-7-5-3-2-4-6-9-7;1-2;/h3-6H,2H2,1H3,(H,8,9);1-2H3;1H.
What are the key properties of ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen?
ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen has a molecular weight of 154.26 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen is sourced from PubChem (CID 142116842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).