2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine

C10H13BrN2 — CID 60904501

IUPAC2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCCc1ccncc1
InChIInChI=1S/C10H13BrN2/c1-9(11)8-13-7-4-10-2-5-12-6-3-10/h2-3,5-6,13H,1,4,7-8H2
InChIKeyAVPKSWFHAGZBTO-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.12
Rot. Bonds5

About 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine

2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine (PubChem CID 60904501) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
PubChem CID60904501
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
SMILESC=C(Br)CNCCc1ccncc1
InChIInChI=1S/C10H13BrN2/c1-9(11)8-13-7-4-10-2-5-12-6-3-10/h2-3,5-6,13H,1,4,7-8H2
InChIKeyAVPKSWFHAGZBTO-UHFFFAOYSA-N
XLogP2.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 66045454
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
2-bromo-N-(3-phenylpropyl)prop-2-en-1-amine
CID 60905254
N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60904348
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
2-bromo-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 60874327

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine (CID 60904501) is 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine is C=C(Br)CNCCc1ccncc1.
What is the InChIKey of 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine?
The InChIKey is AVPKSWFHAGZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-9(11)8-13-7-4-10-2-5-12-6-3-10/h2-3,5-6,13H,1,4,7-8H2.
What are the key properties of 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine?
2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine has a molecular weight of 241.13 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 60904501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).