(Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide

C9H19N5O — CID 90245822

IUPAC(Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide
SMILESC/N=C/N/C(=C\CC(=O)NC)NCCN
InChIInChI=1S/C9H19N5O/c1-11-7-14-8(13-6-5-10)3-4-9(15)12-2/h3,7,13H,4-6,10H2,1-2H3,(H,11,14)(H,12,15)/b8-3-
InChIKeyWWGUOJXERBMJPR-BAQGIRSFSA-N
MW213.28 g/mol
LogP-1.24
Rot. Bonds7

About (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide

(Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide (PubChem CID 90245822) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide
PubChem CID90245822
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name(Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide
SMILESC/N=C/N/C(=C\CC(=O)NC)NCCN
InChIInChI=1S/C9H19N5O/c1-11-7-14-8(13-6-5-10)3-4-9(15)12-2/h3,7,13H,4-6,10H2,1-2H3,(H,11,14)(H,12,15)/b8-3-
InChIKeyWWGUOJXERBMJPR-BAQGIRSFSA-N
XLogP-1.24
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(methyliminomethylamino) N-(2-aminoethyl)carbamate
CID 142470605
N-methylbut-3-enamide
CID 13113546
(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide
CID 43374719
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
2-(2-aminoethylamino)-3,3-bis(methylamino)prop-2-enal
CID 134444403
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
N-(2-aminoethyl)pent-4-enamide
CID 62679699
5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride
CID 172550170
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide?
The IUPAC name of (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide (CID 90245822) is (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide.
What is the SMILES notation for (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide?
The canonical SMILES for (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide is C/N=C/N/C(=C\CC(=O)NC)NCCN.
What is the InChIKey of (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide?
The InChIKey is WWGUOJXERBMJPR-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H19N5O/c1-11-7-14-8(13-6-5-10)3-4-9(15)12-2/h3,7,13H,4-6,10H2,1-2H3,(H,11,14)(H,12,15)/b8-3-.
What are the key properties of (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide?
(Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide has a molecular weight of 213.28 g/mol, XLogP of -1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide is sourced from PubChem (CID 90245822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).