(Z)-3-amino-2-(propan-2-ylamino)prop-2-enal

C6H12N2O — CID 155118266

IUPAC(Z)-3-amino-2-(propan-2-ylamino)prop-2-enal
SMILESCC(C)N/C(C=O)=C\N
InChIInChI=1S/C6H12N2O/c1-5(2)8-6(3-7)4-9/h3-5,8H,7H2,1-2H3/b6-3-
InChIKeyXEPOYOZORROUSA-UTCJRWHESA-N
MW128.17 g/mol
LogP-0.02
Rot. Bonds3

About (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal

(Z)-3-amino-2-(propan-2-ylamino)prop-2-enal (PubChem CID 155118266) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-amino-2-(propan-2-ylamino)prop-2-enal
PubChem CID155118266
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(Z)-3-amino-2-(propan-2-ylamino)prop-2-enal
SMILESCC(C)N/C(C=O)=C\N
InChIInChI=1S/C6H12N2O/c1-5(2)8-6(3-7)4-9/h3-5,8H,7H2,1-2H3/b6-3-
InChIKeyXEPOYOZORROUSA-UTCJRWHESA-N
XLogP-0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal?
The IUPAC name of (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal (CID 155118266) is (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal.
What is the SMILES notation for (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal?
The canonical SMILES for (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal is CC(C)N/C(C=O)=C\N.
What is the InChIKey of (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal?
The InChIKey is XEPOYOZORROUSA-UTCJRWHESA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)8-6(3-7)4-9/h3-5,8H,7H2,1-2H3/b6-3-.
What are the key properties of (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal?
(Z)-3-amino-2-(propan-2-ylamino)prop-2-enal has a molecular weight of 128.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(propan-2-ylamino)prop-2-enal is sourced from PubChem (CID 155118266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).