methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium

C12H23N2+ — CID 123459753

IUPACmethyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium
SMILESCC=CCC(C)=C(NC)[N+](C)=CCC
InChIInChI=1S/C12H23N2/c1-6-8-9-11(3)12(13-4)14(5)10-7-2/h6,8,10,13H,7,9H2,1-5H3/q+1
InChIKeyYEUFTSHYUQDJPN-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.53
Rot. Bonds5

About methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium

methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium (PubChem CID 123459753) has the molecular formula C12H23N2+ and a molecular weight of 195.33 g/mol. Its IUPAC name is methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium.

Molecular Properties

Compound Namemethyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium
PubChem CID123459753
Molecular FormulaC12H23N2+
Molecular Weight195.33 g/mol
Exact Mass195.19
IUPAC Namemethyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium
SMILESCC=CCC(C)=C(NC)[N+](C)=CCC
InChIInChI=1S/C12H23N2/c1-6-8-9-11(3)12(13-4)14(5)10-7-2/h6,8,10,13H,7,9H2,1-5H3/q+1
InChIKeyYEUFTSHYUQDJPN-UHFFFAOYSA-N
XLogP2.53
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
N,6-dimethyl-3-prop-2-enyl-4H-azepin-2-amine
CID 143711834
ethene;N-ethyl-3,6-dimethyl-4H-azepin-2-amine
CID 143712104
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514
(1Z,3E)-2-[(Z)-but-1-enyl]-1-[(Z)-ethylideneamino]-N,3-dimethylhepta-1,3-dien-1-amine;ethane
CID 145017821
(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane
CID 145017836
ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine
CID 145017874
1-[[(Z)-2-ethylbut-2-enylidene]amino]-N-methylethenamine
CID 173717392
N-methyl-1-[[(Z)-non-3-enylidene]amino]ethenamine
CID 173760424
(6E)-N,3-dimethyl-4,5-dihydroazocin-2-amine
CID 173764936
1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine
CID 174318397
Methyl-[[methyl(3-methylpent-3-enylidene)azaniumyl]methyl]-(3-methylpent-3-enylidene)azanium
CID 57622508

Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium?
The IUPAC name of methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium (CID 123459753) is methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium.
What is the SMILES notation for methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium?
The canonical SMILES for methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium is CC=CCC(C)=C(NC)[N+](C)=CCC.
What is the InChIKey of methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium?
The InChIKey is YEUFTSHYUQDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2/c1-6-8-9-11(3)12(13-4)14(5)10-7-2/h6,8,10,13H,7,9H2,1-5H3/q+1.
What are the key properties of methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium?
methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium has a molecular weight of 195.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium is sourced from PubChem (CID 123459753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).