ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine

C14H26N2 — CID 145121617

IUPACethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine
SMILESC/C=C\C1=C(/C=N/C)CCCCN1C.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-7-12-11(10-13-2)8-5-6-9-14(12)3;1-2/h4,7,10H,5-6,8-9H2,1-3H3;1-2H3/b7-4-,13-10+;
InChIKeyRZXYZRXDYMANEV-XSLSHGTKSA-N
MW222.38 g/mol
LogP3.66
Rot. Bonds2

About ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine

ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine (PubChem CID 145121617) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine
PubChem CID145121617
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine
SMILESC/C=C\C1=C(/C=N/C)CCCCN1C.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-7-12-11(10-13-2)8-5-6-9-14(12)3;1-2/h4,7,10H,5-6,8-9H2,1-3H3;1-2H3/b7-4-,13-10+;
InChIKeyRZXYZRXDYMANEV-XSLSHGTKSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 91314131
CID 91314131
CID 124009778
CID 124009778
CID 129066207
CID 129066207
CID 132223438
CID 132223438
CID 134288045
CID 134288045
CID 137400886
CID 137400886
CID 142087461
CID 142087461
CID 143006315
CID 143006315
CID 143030224
CID 143030224
CID 143420751
CID 143420751
CID 143497428
CID 143497428
CID 144108460
CID 144108460

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
The IUPAC name of ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine (CID 145121617) is ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine.
What is the SMILES notation for ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
The canonical SMILES for ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine is C/C=C\C1=C(/C=N/C)CCCCN1C.CC.
What is the InChIKey of ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
The InChIKey is RZXYZRXDYMANEV-XSLSHGTKSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-4-7-12-11(10-13-2)8-5-6-9-14(12)3;1-2/h4,7,10H,5-6,8-9H2,1-3H3;1-2H3/b7-4-,13-10+;.
What are the key properties of ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine has a molecular weight of 222.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine is sourced from PubChem (CID 145121617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).