(E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide

C17H37N5O — CID 155353255

IUPAC(E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide
SMILESC/C=C(\CC)CC(NC)C(=O)NCCN(C)CCN(C)CCN
InChIInChI=1S/C17H37N5O/c1-6-15(7-2)14-16(19-3)17(23)20-9-11-22(5)13-12-21(4)10-8-18/h6,16,19H,7-14,18H2,1-5H3,(H,20,23)/b15-6+
InChIKeyRBYWOWIUDVFODP-GIDUJCDVSA-N
MW327.52 g/mol
LogP0.26
Rot. Bonds13

About (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide

(E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide (PubChem CID 155353255) has the molecular formula C17H37N5O and a molecular weight of 327.52 g/mol. Its IUPAC name is (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide
PubChem CID155353255
Molecular FormulaC17H37N5O
Molecular Weight327.52 g/mol
Exact Mass327.30
IUPAC Name(E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide
SMILESC/C=C(\CC)CC(NC)C(=O)NCCN(C)CCN(C)CCN
InChIInChI=1S/C17H37N5O/c1-6-15(7-2)14-16(19-3)17(23)20-9-11-22(5)13-12-21(4)10-8-18/h6,16,19H,7-14,18H2,1-5H3,(H,20,23)/b15-6+
InChIKeyRBYWOWIUDVFODP-GIDUJCDVSA-N
XLogP0.26
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide?
The IUPAC name of (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide (CID 155353255) is (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide.
What is the SMILES notation for (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide?
The canonical SMILES for (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide is C/C=C(\CC)CC(NC)C(=O)NCCN(C)CCN(C)CCN.
What is the InChIKey of (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide?
The InChIKey is RBYWOWIUDVFODP-GIDUJCDVSA-N. The full InChI is InChI=1S/C17H37N5O/c1-6-15(7-2)14-16(19-3)17(23)20-9-11-22(5)13-12-21(4)10-8-18/h6,16,19H,7-14,18H2,1-5H3,(H,20,23)/b15-6+.
What are the key properties of (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide?
(E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide has a molecular weight of 327.52 g/mol, XLogP of 0.26, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide is sourced from PubChem (CID 155353255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).