(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine

C10H16N2 — CID 155002211

IUPAC(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine
SMILESC=NN(C/C=C/C(=C)C)C(=C)C
InChIInChI=1S/C10H16N2/c1-9(2)7-6-8-12(11-5)10(3)4/h6-7H,1,3,5,8H2,2,4H3/b7-6+
InChIKeyYWDURSBURATLRC-VOTSOKGWSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds5

About (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine

(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine (PubChem CID 155002211) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine
PubChem CID155002211
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine
SMILESC=NN(C/C=C/C(=C)C)C(=C)C
InChIInChI=1S/C10H16N2/c1-9(2)7-6-8-12(11-5)10(3)4/h6-7H,1,3,5,8H2,2,4H3/b7-6+
InChIKeyYWDURSBURATLRC-VOTSOKGWSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
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

1-[(Z)-3,4-difluoro-2-methylidenepent-3-enyl]-2,2-dimethyl-1-penta-1,4-dien-2-ylhydrazine
CID 166651400
(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
CID 89320182
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
CID 123566008
5-methylidene-N-propan-2-yl-N-(propan-2-ylideneamino)hepta-1,3,6-trien-2-amine
CID 123831923
Methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
CID 123841124
(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
1,2-bis[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E)-2-ethylpenta-2,4-dienyl]-2-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]hydrazine
CID 139542186
1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
CID 143325340
N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 143554337

Frequently Asked Questions

What is the IUPAC name of (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine (CID 155002211) is (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine is C=NN(C/C=C/C(=C)C)C(=C)C.
What is the InChIKey of (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The InChIKey is YWDURSBURATLRC-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)7-6-8-12(11-5)10(3)4/h6-7H,1,3,5,8H2,2,4H3/b7-6+.
What are the key properties of (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine?
(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 155002211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).