(Z)-2-amino-4-(methylamino)but-3-en-1-ol

C5H12N2O — CID 89418510

IUPAC(Z)-2-amino-4-(methylamino)but-3-en-1-ol
SMILESCN/C=C\C(N)CO
InChIInChI=1S/C5H12N2O/c1-7-3-2-5(6)4-8/h2-3,5,7-8H,4,6H2,1H3/b3-2-
InChIKeyUCTZAGVJPWMSEC-IHWYPQMZSA-N
MW116.16 g/mol
LogP-0.96
Rot. Bonds3

About (Z)-2-amino-4-(methylamino)but-3-en-1-ol

(Z)-2-amino-4-(methylamino)but-3-en-1-ol (PubChem CID 89418510) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-2-amino-4-(methylamino)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-2-amino-4-(methylamino)but-3-en-1-ol
PubChem CID89418510
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(Z)-2-amino-4-(methylamino)but-3-en-1-ol
SMILESCN/C=C\C(N)CO
InChIInChI=1S/C5H12N2O/c1-7-3-2-5(6)4-8/h2-3,5,7-8H,4,6H2,1H3/b3-2-
InChIKeyUCTZAGVJPWMSEC-IHWYPQMZSA-N
XLogP-0.96
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 ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-4-(methylamino)but-3-en-1-ol?
The IUPAC name of (Z)-2-amino-4-(methylamino)but-3-en-1-ol (CID 89418510) is (Z)-2-amino-4-(methylamino)but-3-en-1-ol.
What is the SMILES notation for (Z)-2-amino-4-(methylamino)but-3-en-1-ol?
The canonical SMILES for (Z)-2-amino-4-(methylamino)but-3-en-1-ol is CN/C=C\C(N)CO.
What is the InChIKey of (Z)-2-amino-4-(methylamino)but-3-en-1-ol?
The InChIKey is UCTZAGVJPWMSEC-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H12N2O/c1-7-3-2-5(6)4-8/h2-3,5,7-8H,4,6H2,1H3/b3-2-.
What are the key properties of (Z)-2-amino-4-(methylamino)but-3-en-1-ol?
(Z)-2-amino-4-(methylamino)but-3-en-1-ol has a molecular weight of 116.16 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-4-(methylamino)but-3-en-1-ol is sourced from PubChem (CID 89418510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).