(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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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).