(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine

C9H20N4 — CID 134406241

IUPAC(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
SMILESCNCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C9H20N4/c1-8(10)4-5-9(11)13(3)7-6-12-2/h4-5,12H,6-7,10-11H2,1-3H3/b8-4-,9-5+
InChIKeyALFPSYXTLXNWSN-MVTUOISNSA-N
MW184.29 g/mol
LogP-0.20
Rot. Bonds5

About (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine (PubChem CID 134406241) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
PubChem CID134406241
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
SMILESCNCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C9H20N4/c1-8(10)4-5-9(11)13(3)7-6-12-2/h4-5,12H,6-7,10-11H2,1-3H3/b8-4-,9-5+
InChIKeyALFPSYXTLXNWSN-MVTUOISNSA-N
XLogP-0.20
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine (CID 134406241) is (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine is CNCCN(C)/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
The InChIKey is ALFPSYXTLXNWSN-MVTUOISNSA-N. The full InChI is InChI=1S/C9H20N4/c1-8(10)4-5-9(11)13(3)7-6-12-2/h4-5,12H,6-7,10-11H2,1-3H3/b8-4-,9-5+.
What are the key properties of (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine has a molecular weight of 184.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).