N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine

C12H19N — CID 134232125

IUPACN-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine
SMILESC/C=C\C1=C(/C=N/C)CCCCC1
InChIInChI=1S/C12H19N/c1-3-7-11-8-5-4-6-9-12(11)10-13-2/h3,7,10H,4-6,8-9H2,1-2H3/b7-3-,13-10+
InChIKeyLCILJECFCWTHED-ZGWXSTTMSA-N
MW177.29 g/mol
LogP3.52
Rot. Bonds2

About N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine

N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine (PubChem CID 134232125) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine
PubChem CID134232125
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine
SMILESC/C=C\C1=C(/C=N/C)CCCCC1
InChIInChI=1S/C12H19N/c1-3-7-11-8-5-4-6-9-12(11)10-13-2/h3,7,10H,4-6,8-9H2,1-2H3/b7-3-,13-10+
InChIKeyLCILJECFCWTHED-ZGWXSTTMSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine?
The IUPAC name of N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine (CID 134232125) is N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine.
What is the SMILES notation for N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine?
The canonical SMILES for N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine is C/C=C\C1=C(/C=N/C)CCCCC1.
What is the InChIKey of N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine?
The InChIKey is LCILJECFCWTHED-ZGWXSTTMSA-N. The full InChI is InChI=1S/C12H19N/c1-3-7-11-8-5-4-6-9-12(11)10-13-2/h3,7,10H,4-6,8-9H2,1-2H3/b7-3-,13-10+.
What are the key properties of N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine?
N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]methanimine is sourced from PubChem (CID 134232125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).