2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol

C7H14N2O — CID 143287770

IUPAC2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol
SMILESC/C(CO)=N\C=C/N(C)C
InChIInChI=1S/C7H14N2O/c1-7(6-10)8-4-5-9(2)3/h4-5,10H,6H2,1-3H3/b5-4-,8-7+
InChIKeyRMXJBCRYRPBBAR-KXKKYDSASA-N
MW142.20 g/mol
LogP0.47
Rot. Bonds3

About 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol

2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol (PubChem CID 143287770) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol.

Molecular Properties

Compound Name2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol
PubChem CID143287770
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol
SMILESC/C(CO)=N\C=C/N(C)C
InChIInChI=1S/C7H14N2O/c1-7(6-10)8-4-5-9(2)3/h4-5,10H,6H2,1-3H3/b5-4-,8-7+
InChIKeyRMXJBCRYRPBBAR-KXKKYDSASA-N
XLogP0.47
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol?
The IUPAC name of 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol (CID 143287770) is 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol.
What is the SMILES notation for 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol?
The canonical SMILES for 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol is C/C(CO)=N\C=C/N(C)C.
What is the InChIKey of 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol?
The InChIKey is RMXJBCRYRPBBAR-KXKKYDSASA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(6-10)8-4-5-9(2)3/h4-5,10H,6H2,1-3H3/b5-4-,8-7+.
What are the key properties of 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol?
2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(dimethylamino)ethenyl]iminopropan-1-ol is sourced from PubChem (CID 143287770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).