(Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol

C10H14BrN3O — CID 154935906

IUPAC(Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol
SMILESCN(N)/C(CO)=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrN3O/c1-14(13)9(6-15)10(12)7-2-4-8(11)5-3-7/h2-5,15H,6,12-13H2,1H3/b10-9-
InChIKeyZATZIVSJOXXGNH-KTKRTIGZSA-N
MW272.15 g/mol
LogP0.87
Rot. Bonds3

About (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol

(Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol (PubChem CID 154935906) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol
PubChem CID154935906
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol
SMILESCN(N)/C(CO)=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrN3O/c1-14(13)9(6-15)10(12)7-2-4-8(11)5-3-7/h2-5,15H,6,12-13H2,1H3/b10-9-
InChIKeyZATZIVSJOXXGNH-KTKRTIGZSA-N
XLogP0.87
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol (CID 154935906) is (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol is CN(N)/C(CO)=C(\N)c1ccc(Br)cc1.
What is the InChIKey of (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol?
The InChIKey is ZATZIVSJOXXGNH-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14(13)9(6-15)10(12)7-2-4-8(11)5-3-7/h2-5,15H,6,12-13H2,1H3/b10-9-.
What are the key properties of (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol?
(Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol has a molecular weight of 272.15 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[amino(methyl)amino]-3-(4-bromophenyl)prop-2-en-1-ol is sourced from PubChem (CID 154935906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).