methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium

C15H34N6+2 — CID 163939991

IUPACmethyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium
SMILESCC/C=C\C(=C/C=C\C[N+](C)(NC)NC)[N+](C)(NC)NC
InChIInChI=1S/C15H34N6/c1-8-9-12-15(21(7,18-4)19-5)13-10-11-14-20(6,16-2)17-3/h9-13,16-19H,8,14H2,1-7H3/q+2/b11-10-,12-9-,15-13+
InChIKeyYBAOAGTUXXXMNR-RANUFIPJSA-N
MW298.48 g/mol
LogP0.82
Rot. Bonds10

About methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium

methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium (PubChem CID 163939991) has the molecular formula C15H34N6+2 and a molecular weight of 298.48 g/mol. Its IUPAC name is methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium.

Molecular Properties

Compound Namemethyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium
PubChem CID163939991
Molecular FormulaC15H34N6+2
Molecular Weight298.48 g/mol
Exact Mass298.28
IUPAC Namemethyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium
SMILESCC/C=C\C(=C/C=C\C[N+](C)(NC)NC)[N+](C)(NC)NC
InChIInChI=1S/C15H34N6/c1-8-9-12-15(21(7,18-4)19-5)13-10-11-14-20(6,16-2)17-3/h9-13,16-19H,8,14H2,1-7H3/q+2/b11-10-,12-9-,15-13+
InChIKeyYBAOAGTUXXXMNR-RANUFIPJSA-N
XLogP0.82
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-penta-1,3-dien-3-yl-1-prop-1-enylhydrazine
CID 123381625
2-methyl-1-[(3Z)-penta-1,3-dien-3-yl]-1-[(Z)-prop-1-enyl]hydrazine
CID 130247449
1,2-dimethyl-1-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hydrazine
CID 134533614
1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
CID 139479192
2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
CID 139542195
ethane;2-methyl-1-[(3Z)-penta-1,3-dien-3-yl]-1-[(Z)-prop-1-enyl]hydrazine
CID 142516288
1-Cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine
CID 142903313
(2Z,4E,6Z)-4-hydrazinylnona-2,4,6-trien-1-amine
CID 142986206
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,2-dimethylhydrazine;methanamine
CID 143447824
ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine
CID 143501967
1,2-dimethyl-1-[(E)-pent-2-en-2-yl]hydrazine;ethane
CID 143565494
1-Cyclohexa-1,5-dien-1-yl-2-ethyl-1-methylhydrazine
CID 143779684

Frequently Asked Questions

What is the IUPAC name of methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium?
The IUPAC name of methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium (CID 163939991) is methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium.
What is the SMILES notation for methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium?
The canonical SMILES for methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium is CC/C=C\C(=C/C=C\C[N+](C)(NC)NC)[N+](C)(NC)NC.
What is the InChIKey of methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium?
The InChIKey is YBAOAGTUXXXMNR-RANUFIPJSA-N. The full InChI is InChI=1S/C15H34N6/c1-8-9-12-15(21(7,18-4)19-5)13-10-11-14-20(6,16-2)17-3/h9-13,16-19H,8,14H2,1-7H3/q+2/b11-10-,12-9-,15-13+.
What are the key properties of methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium?
methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium has a molecular weight of 298.48 g/mol, XLogP of 0.82, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium is sourced from PubChem (CID 163939991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).