methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium

C13H24N2+2 — CID 123223807

IUPACmethyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium
SMILESC=C(C[N+](=C)C)[N+](=C)C(CC)C(C)=CC
InChIInChI=1S/C13H24N2/c1-8-11(3)13(9-2)15(7)12(4)10-14(5)6/h8,13H,4-5,7,9-10H2,1-3,6H3/q+2
InChIKeyTWIFLAHOYUFKFM-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.30
Rot. Bonds6

About methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium

methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium (PubChem CID 123223807) has the molecular formula C13H24N2+2 and a molecular weight of 208.35 g/mol. Its IUPAC name is methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium.

Molecular Properties

Compound Namemethyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium
PubChem CID123223807
Molecular FormulaC13H24N2+2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Namemethyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium
SMILESC=C(C[N+](=C)C)[N+](=C)C(CC)C(C)=CC
InChIInChI=1S/C13H24N2/c1-8-11(3)13(9-2)15(7)12(4)10-14(5)6/h8,13H,4-5,7,9-10H2,1-3,6H3/q+2
InChIKeyTWIFLAHOYUFKFM-UHFFFAOYSA-N
XLogP2.30
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 130182898
ethane;N-[2-[[(2Z)-2-ethylidenehexylidene]amino]prop-2-enyl]-N-prop-1-en-2-ylpentan-2-amine
CID 141877088
(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142082937
N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine
CID 142505487
N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
CID 142886831
ethane;N-[1,2,5-trimethyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144433507
N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine
CID 154947685
N,N,4-trimethyl-7-(methylideneamino)cyclohepta-1,5-dien-1-amine
CID 155402781
N-[4-[(Z)-but-2-en-2-yl]-1-methyl-3,6-dihydro-2H-pyridin-5-yl]methanimine
CID 156238548
ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine
CID 156819684
N-[2-[[(2Z)-2-ethylidenehexylidene]amino]prop-2-enyl]-N-prop-1-en-2-ylpentan-2-amine
CID 141877089
N-[1,2,5-trimethyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144433508

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium?
The IUPAC name of methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium (CID 123223807) is methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium.
What is the SMILES notation for methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium?
The canonical SMILES for methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium is C=C(C[N+](=C)C)[N+](=C)C(CC)C(C)=CC.
What is the InChIKey of methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium?
The InChIKey is TWIFLAHOYUFKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-8-11(3)13(9-2)15(7)12(4)10-14(5)6/h8,13H,4-5,7,9-10H2,1-3,6H3/q+2.
What are the key properties of methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium?
methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium has a molecular weight of 208.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[4-methylhex-4-en-3-yl(methylidene)azaniumyl]prop-2-enyl]-methylideneazanium is sourced from PubChem (CID 123223807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).