(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine

C11H20N4 — CID 126676264

IUPAC(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine
SMILESC=N/C=C(\C)CC(/C=C\NC)=C(\N)CN
InChIInChI=1S/C11H20N4/c1-9(8-15-3)6-10(4-5-14-2)11(13)7-12/h4-5,8,14H,3,6-7,12-13H2,1-2H3/b5-4-,9-8+,11-10-
InChIKeyMSFZKLQEBADMEM-QXZHCYTBSA-N
MW208.31 g/mol
LogP0.89
Rot. Bonds6

About (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine

(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine (PubChem CID 126676264) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine.

Molecular Properties

Compound Name(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine
PubChem CID126676264
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine
SMILESC=N/C=C(\C)CC(/C=C\NC)=C(\N)CN
InChIInChI=1S/C11H20N4/c1-9(8-15-3)6-10(4-5-14-2)11(13)7-12/h4-5,8,14H,3,6-7,12-13H2,1-2H3/b5-4-,9-8+,11-10-
InChIKeyMSFZKLQEBADMEM-QXZHCYTBSA-N
XLogP0.89
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine?
The IUPAC name of (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine (CID 126676264) is (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine.
What is the SMILES notation for (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine?
The canonical SMILES for (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine is C=N/C=C(\C)CC(/C=C\NC)=C(\N)CN.
What is the InChIKey of (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine?
The InChIKey is MSFZKLQEBADMEM-QXZHCYTBSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(8-15-3)6-10(4-5-14-2)11(13)7-12/h4-5,8,14H,3,6-7,12-13H2,1-2H3/b5-4-,9-8+,11-10-.
What are the key properties of (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine?
(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine has a molecular weight of 208.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine is sourced from PubChem (CID 126676264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).