methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium

C9H17N2+ — CID 59917211

IUPACmethyl-[7-(methylamino)hepta-4,6-dienylidene]azanium
SMILESCNC=CC=CCC/C=[NH+]/C
InChIInChI=1S/C9H16N2/c1-10-8-6-4-3-5-7-9-11-2/h3-4,6,8-10H,5,7H2,1-2H3/p+1/b4-3?,8-6?,11-9+
InChIKeyCGUXHZIMWNHCLF-VCOOCPHKSA-O
MW153.25 g/mol
LogP-0.16
Rot. Bonds5

About methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium

methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium (PubChem CID 59917211) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium.

Molecular Properties

Compound Namemethyl-[7-(methylamino)hepta-4,6-dienylidene]azanium
PubChem CID59917211
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Namemethyl-[7-(methylamino)hepta-4,6-dienylidene]azanium
SMILESCNC=CC=CCC/C=[NH+]/C
InChIInChI=1S/C9H16N2/c1-10-8-6-4-3-5-7-9-11-2/h3-4,6,8-10H,5,7H2,1-2H3/p+1/b4-3?,8-6?,11-9+
InChIKeyCGUXHZIMWNHCLF-VCOOCPHKSA-O
XLogP-0.16
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 54285233
methyl-[(2E,4E,6E,8E)-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 54465327
Methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 54465329
N-methyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 54465330
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
N-hexa-1,3-dienylhex-3-en-1-imine
CID 56629480
N-methyl-6-(1-methyl-3H-pyrrol-1-ium-2-yl)hexa-1,3,5-trien-1-amine
CID 59893250
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
Methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59952362

Frequently Asked Questions

What is the IUPAC name of methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium?
The IUPAC name of methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium (CID 59917211) is methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium.
What is the SMILES notation for methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium?
The canonical SMILES for methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium is CNC=CC=CCC/C=[NH+]/C.
What is the InChIKey of methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium?
The InChIKey is CGUXHZIMWNHCLF-VCOOCPHKSA-O. The full InChI is InChI=1S/C9H16N2/c1-10-8-6-4-3-5-7-9-11-2/h3-4,6,8-10H,5,7H2,1-2H3/p+1/b4-3?,8-6?,11-9+.
What are the key properties of methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium?
methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium has a molecular weight of 153.25 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium is sourced from PubChem (CID 59917211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).