(Z)-3-amino-2-(2-aminoethylamino)but-2-enal

C6H13N3O — CID 134517746

IUPAC(Z)-3-amino-2-(2-aminoethylamino)but-2-enal
SMILESC/C(N)=C(\C=O)NCCN
InChIInChI=1S/C6H13N3O/c1-5(8)6(4-10)9-3-2-7/h4,9H,2-3,7-8H2,1H3/b6-5-
InChIKeySTKSAYLDLISJMA-WAYWQWQTSA-N
MW143.19 g/mol
LogP-1.08
Rot. Bonds4

About (Z)-3-amino-2-(2-aminoethylamino)but-2-enal

(Z)-3-amino-2-(2-aminoethylamino)but-2-enal (PubChem CID 134517746) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (Z)-3-amino-2-(2-aminoethylamino)but-2-enal.

Molecular Properties

Compound Name(Z)-3-amino-2-(2-aminoethylamino)but-2-enal
PubChem CID134517746
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(Z)-3-amino-2-(2-aminoethylamino)but-2-enal
SMILESC/C(N)=C(\C=O)NCCN
InChIInChI=1S/C6H13N3O/c1-5(8)6(4-10)9-3-2-7/h4,9H,2-3,7-8H2,1H3/b6-5-
InChIKeySTKSAYLDLISJMA-WAYWQWQTSA-N
XLogP-1.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)-3,3-bis(methylamino)prop-2-enal
CID 134444403
N'-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
CID 90261773
N'-[(Z)-but-2-en-2-yl]ethane-1,2-diamine
CID 55288959
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
CID 60966147
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(2-aminoethylamino)but-2-enal?
The IUPAC name of (Z)-3-amino-2-(2-aminoethylamino)but-2-enal (CID 134517746) is (Z)-3-amino-2-(2-aminoethylamino)but-2-enal.
What is the SMILES notation for (Z)-3-amino-2-(2-aminoethylamino)but-2-enal?
The canonical SMILES for (Z)-3-amino-2-(2-aminoethylamino)but-2-enal is C/C(N)=C(\C=O)NCCN.
What is the InChIKey of (Z)-3-amino-2-(2-aminoethylamino)but-2-enal?
The InChIKey is STKSAYLDLISJMA-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(8)6(4-10)9-3-2-7/h4,9H,2-3,7-8H2,1H3/b6-5-.
What are the key properties of (Z)-3-amino-2-(2-aminoethylamino)but-2-enal?
(Z)-3-amino-2-(2-aminoethylamino)but-2-enal has a molecular weight of 143.19 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(2-aminoethylamino)but-2-enal is sourced from PubChem (CID 134517746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).