(E)-2-amino-N,N'-dipropylbut-2-enediamide

C10H19N3O2 — CID 90409713

IUPAC(E)-2-amino-N,N'-dipropylbut-2-enediamide
SMILESCCCNC(=O)/C=C(/N)C(=O)NCCC
InChIInChI=1S/C10H19N3O2/c1-3-5-12-9(14)7-8(11)10(15)13-6-4-2/h7H,3-6,11H2,1-2H3,(H,12,14)(H,13,15)/b8-7+
InChIKeyIOUHFLGGZUAFMR-BQYQJAHWSA-N
MW213.28 g/mol
LogP-0.12
Rot. Bonds6

About (E)-2-amino-N,N'-dipropylbut-2-enediamide

(E)-2-amino-N,N'-dipropylbut-2-enediamide (PubChem CID 90409713) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-2-amino-N,N'-dipropylbut-2-enediamide.

Molecular Properties

Compound Name(E)-2-amino-N,N'-dipropylbut-2-enediamide
PubChem CID90409713
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(E)-2-amino-N,N'-dipropylbut-2-enediamide
SMILESCCCNC(=O)/C=C(/N)C(=O)NCCC
InChIInChI=1S/C10H19N3O2/c1-3-5-12-9(14)7-8(11)10(15)13-6-4-2/h7H,3-6,11H2,1-2H3,(H,12,14)(H,13,15)/b8-7+
InChIKeyIOUHFLGGZUAFMR-BQYQJAHWSA-N
XLogP-0.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-N,N'-dipropylbut-2-enediamide?
The IUPAC name of (E)-2-amino-N,N'-dipropylbut-2-enediamide (CID 90409713) is (E)-2-amino-N,N'-dipropylbut-2-enediamide.
What is the SMILES notation for (E)-2-amino-N,N'-dipropylbut-2-enediamide?
The canonical SMILES for (E)-2-amino-N,N'-dipropylbut-2-enediamide is CCCNC(=O)/C=C(/N)C(=O)NCCC.
What is the InChIKey of (E)-2-amino-N,N'-dipropylbut-2-enediamide?
The InChIKey is IOUHFLGGZUAFMR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-5-12-9(14)7-8(11)10(15)13-6-4-2/h7H,3-6,11H2,1-2H3,(H,12,14)(H,13,15)/b8-7+.
What are the key properties of (E)-2-amino-N,N'-dipropylbut-2-enediamide?
(E)-2-amino-N,N'-dipropylbut-2-enediamide has a molecular weight of 213.28 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-N,N'-dipropylbut-2-enediamide is sourced from PubChem (CID 90409713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).