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

C12H20N2 — CID 145121618

IUPACN-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
InChIInChI=1S/C12H20N2/c1-4-7-12-11(10-13-2)8-5-6-9-14(12)3/h4,7,10H,5-6,8-9H2,1-3H3/b7-4-,13-10+
InChIKeyISQXTANNWHNWOK-ZPSMGGMLSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds2

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

N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine (PubChem CID 145121618) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine
PubChem CID145121618
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-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
InChIInChI=1S/C12H20N2/c1-4-7-12-11(10-13-2)8-5-6-9-14(12)3/h4,7,10H,5-6,8-9H2,1-3H3/b7-4-,13-10+
InChIKeyISQXTANNWHNWOK-ZPSMGGMLSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.63
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

N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
2-Methyl-7-propan-2-yl-1,3,4,5-tetrahydropyrido[3,4-c]azepine
CID 124009778
(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine
CID 129066207
(3Z)-3-ethenyl-N,4-dimethyl-6-(methyliminomethyl)-N-propan-2-ylhepta-1,3,6-trien-2-amine
CID 132223438
(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine
CID 134288045
N-butyl-3-(2,4-dimethylazet-3-yl)-N-ethyl-7-methyl-3H-azepin-6-amine
CID 137400886
ethane;N-[5-ethenyl-2-methyl-7-(1-methylpiperidin-4-ylidene)-6-[(Z)-prop-1-enyl]cyclohepta-1,5-dien-1-yl]prop-2-en-1-imine
CID 142087461
1-methyl-6,7,8,9-tetrahydro-3H-1-benzazepin-1-ium
CID 143006315
(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine
CID 143030224
(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
CID 143420751
7-Ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine
CID 143497428
(2Z)-N-methyl-2-(1-methylpyrrolidin-2-yl)penta-2,4-dien-1-imine
CID 144108460

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
The IUPAC name of N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine (CID 145121618) is N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine.
What is the SMILES notation for N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
The canonical SMILES for 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.
What is the InChIKey of N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
The InChIKey is ISQXTANNWHNWOK-ZPSMGGMLSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-12-11(10-13-2)8-5-6-9-14(12)3/h4,7,10H,5-6,8-9H2,1-3H3/b7-4-,13-10+.
What are the key properties of N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine?
N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-methyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydroazepin-6-yl]methanimine is sourced from PubChem (CID 145121618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).