methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium

C11H19N2+ — CID 123841124

IUPACmethyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
SMILESC=CC(=C(C)C)[N+](C)(C=CC)N=C
InChIInChI=1S/C11H19N2/c1-7-9-13(6,12-5)11(8-2)10(3)4/h7-9H,2,5H2,1,3-4,6H3/q+1
InChIKeyGRAATBGMYIIHMK-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.06
Rot. Bonds4

About methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium

methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium (PubChem CID 123841124) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium.

Molecular Properties

Compound Namemethyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
PubChem CID123841124
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Namemethyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
SMILESC=CC(=C(C)C)[N+](C)(C=CC)N=C
InChIInChI=1S/C11H19N2/c1-7-9-13(6,12-5)11(8-2)10(3)4/h7-9H,2,5H2,1,3-4,6H3/q+1
InChIKeyGRAATBGMYIIHMK-UHFFFAOYSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

N-(2-propan-2-ylidene-1-pyridinyl)propan-2-imine
CID 20601374
(2Z,4Z,6Z)-N-methyl-N-(methylideneamino)nona-2,4,6,8-tetraen-2-amine
CID 88328215
N-[(2Z)-2-ethylidene-1-pyridinyl]methanimine
CID 130279313
(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine
CID 134286725
(3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine
CID 142179771
(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
CID 142316857
ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
CID 143779928
ethane;N-(2-propan-2-ylidene-1-pyridinyl)methanimine
CID 144376796
ethane;N-ethenyl-N-(methylideneamino)buta-1,3-dien-2-amine
CID 144426691
(4Z)-N,2-dimethyl-N-(methylideneamino)hepta-2,4,6-trien-3-amine
CID 145153596
ethane;(3E,5Z)-N-ethyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
CID 145408587
N-[(2Z)-2-ethylidene-4-methyl-1-pyridinyl]methanimine
CID 145610791

Frequently Asked Questions

What is the IUPAC name of methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium?
The IUPAC name of methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium (CID 123841124) is methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium.
What is the SMILES notation for methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium?
The canonical SMILES for methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium is C=CC(=C(C)C)[N+](C)(C=CC)N=C.
What is the InChIKey of methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium?
The InChIKey is GRAATBGMYIIHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2/c1-7-9-13(6,12-5)11(8-2)10(3)4/h7-9H,2,5H2,1,3-4,6H3/q+1.
What are the key properties of methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium?
methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium has a molecular weight of 179.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium is sourced from PubChem (CID 123841124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).