(2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine

C12H18N2 — CID 170967773

IUPAC(2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine
SMILESC=NN(C(=C)C)/C(=C\C)C(=C)C(=C)C
InChIInChI=1S/C12H18N2/c1-8-12(11(6)9(2)3)14(13-7)10(4)5/h8H,2,4,6-7H2,1,3,5H3/b12-8-
InChIKeyMAVLYBRAVYEMRU-WQLSENKSSA-N
MW190.29 g/mol
LogP3.47
Rot. Bonds5

About (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine

(2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine (PubChem CID 170967773) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine.

Molecular Properties

Compound Name(2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine
PubChem CID170967773
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine
SMILESC=NN(C(=C)C)/C(=C\C)C(=C)C(=C)C
InChIInChI=1S/C12H18N2/c1-8-12(11(6)9(2)3)14(13-7)10(4)5/h8H,2,4,6-7H2,1,3,5H3/b12-8-
InChIKeyMAVLYBRAVYEMRU-WQLSENKSSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine
CID 142488462
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
CID 123566008
(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
CID 139355968
(3Z,6Z)-N-(3-methylbut-2-en-2-yl)-N-(methylideneamino)octa-1,3,6-trien-2-amine
CID 139373816
(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
CID 139397574
N-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 141846006
ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
CID 143256655
(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
CID 145404879
(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine
CID 155002211
N-[(E)-but-2-en-2-yl]-3,4-dimethyl-N-(methylideneamino)penta-1,3-dien-2-amine
CID 156235550
(3E)-N,2-dimethyl-N-(methylideneamino)penta-1,3-dien-3-amine
CID 162726281
(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 166168982

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine?
The IUPAC name of (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine (CID 170967773) is (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine.
What is the SMILES notation for (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine?
The canonical SMILES for (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine is C=NN(C(=C)C)/C(=C\C)C(=C)C(=C)C.
What is the InChIKey of (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine?
The InChIKey is MAVLYBRAVYEMRU-WQLSENKSSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-12(11(6)9(2)3)14(13-7)10(4)5/h8H,2,4,6-7H2,1,3,5H3/b12-8-.
What are the key properties of (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine?
(2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine has a molecular weight of 190.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine is sourced from PubChem (CID 170967773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).