(Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol

C6H14N2O — CID 139514097

IUPAC(Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol
SMILESCNC/C(O)=C/N(C)C
InChIInChI=1S/C6H14N2O/c1-7-4-6(9)5-8(2)3/h5,7,9H,4H2,1-3H3/b6-5-
InChIKeyAPOIJCPRNWINQA-WAYWQWQTSA-N
MW130.19 g/mol
LogP0.17
Rot. Bonds3

About (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol

(Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol (PubChem CID 139514097) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol
PubChem CID139514097
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol
SMILESCNC/C(O)=C/N(C)C
InChIInChI=1S/C6H14N2O/c1-7-4-6(9)5-8(2)3/h5,7,9H,4H2,1-3H3/b6-5-
InChIKeyAPOIJCPRNWINQA-WAYWQWQTSA-N
XLogP0.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol?
The IUPAC name of (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol (CID 139514097) is (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol.
What is the SMILES notation for (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol?
The canonical SMILES for (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol is CNC/C(O)=C/N(C)C.
What is the InChIKey of (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol?
The InChIKey is APOIJCPRNWINQA-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-4-6(9)5-8(2)3/h5,7,9H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol?
(Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(dimethylamino)-3-(methylamino)prop-1-en-2-ol is sourced from PubChem (CID 139514097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).