methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine

C11H22N2 — CID 158738891

IUPACmethane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
SMILESC.C.C/N=C/C=CC=CC=CNC
InChIInChI=1S/C9H14N2.2CH4/c1-10-8-6-4-3-5-7-9-11-2;;/h3-10H,1-2H3;2*1H4/b4-3?,7-5?,8-6?,11-9+;;
InChIKeyIMAMQLUWINFKMC-WXDREEOISA-N
MW182.31 g/mol
LogP2.80
Rot. Bonds4

About methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine

methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine (PubChem CID 158738891) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Namemethane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
PubChem CID158738891
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namemethane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
SMILESC.C.C/N=C/C=CC=CC=CNC
InChIInChI=1S/C9H14N2.2CH4/c1-10-8-6-4-3-5-7-9-11-2;;/h3-10H,1-2H3;2*1H4/b4-3?,7-5?,8-6?,11-9+;;
InChIKeyIMAMQLUWINFKMC-WXDREEOISA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z,5E)-N-methylhepta-1,3,5-trien-1-amine
CID 142183203
(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
N-methylhepta-1,3,5-trien-1-amine
CID 59935590
N-methyldeca-1,3,5,7,9-pentaen-1-amine
CID 59952276
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
(1E,3E,5E,7E)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol
CID 22950218
dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium
CID 176586531
(Z)-N-methyl-4-methyliminobut-2-en-1-amine
CID 147531560
cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
CID 144794255
N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide
CID 176534291
(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
CID 20710682
(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
CID 88945658

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
The IUPAC name of methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine (CID 158738891) is methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine.
What is the SMILES notation for methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
The canonical SMILES for methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine is C.C.C/N=C/C=CC=CC=CNC.
What is the InChIKey of methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
The InChIKey is IMAMQLUWINFKMC-WXDREEOISA-N. The full InChI is InChI=1S/C9H14N2.2CH4/c1-10-8-6-4-3-5-7-9-11-2;;/h3-10H,1-2H3;2*1H4/b4-3?,7-5?,8-6?,11-9+;;.
What are the key properties of methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 158738891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).