(Z)-4-amino-1-(methylamino)but-1-en-2-ol

C5H12N2O — CID 144518310

IUPAC(Z)-4-amino-1-(methylamino)but-1-en-2-ol
SMILESCN/C=C(\O)CCN
InChIInChI=1S/C5H12N2O/c1-7-4-5(8)2-3-6/h4,7-8H,2-3,6H2,1H3/b5-4-
InChIKeyWEVZDQNVRXQWGQ-PLNGDYQASA-N
MW116.16 g/mol
LogP-0.05
Rot. Bonds3

About (Z)-4-amino-1-(methylamino)but-1-en-2-ol

(Z)-4-amino-1-(methylamino)but-1-en-2-ol (PubChem CID 144518310) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-4-amino-1-(methylamino)but-1-en-2-ol.

Molecular Properties

Compound Name(Z)-4-amino-1-(methylamino)but-1-en-2-ol
PubChem CID144518310
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(Z)-4-amino-1-(methylamino)but-1-en-2-ol
SMILESCN/C=C(\O)CCN
InChIInChI=1S/C5H12N2O/c1-7-4-5(8)2-3-6/h4,7-8H,2-3,6H2,1H3/b5-4-
InChIKeyWEVZDQNVRXQWGQ-PLNGDYQASA-N
XLogP-0.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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)-4-amino-1-(methylamino)but-1-en-2-ol?
The IUPAC name of (Z)-4-amino-1-(methylamino)but-1-en-2-ol (CID 144518310) is (Z)-4-amino-1-(methylamino)but-1-en-2-ol.
What is the SMILES notation for (Z)-4-amino-1-(methylamino)but-1-en-2-ol?
The canonical SMILES for (Z)-4-amino-1-(methylamino)but-1-en-2-ol is CN/C=C(\O)CCN.
What is the InChIKey of (Z)-4-amino-1-(methylamino)but-1-en-2-ol?
The InChIKey is WEVZDQNVRXQWGQ-PLNGDYQASA-N. The full InChI is InChI=1S/C5H12N2O/c1-7-4-5(8)2-3-6/h4,7-8H,2-3,6H2,1H3/b5-4-.
What are the key properties of (Z)-4-amino-1-(methylamino)but-1-en-2-ol?
(Z)-4-amino-1-(methylamino)but-1-en-2-ol has a molecular weight of 116.16 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1-(methylamino)but-1-en-2-ol is sourced from PubChem (CID 144518310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).