N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine

C10H16BrN3 — CID 62662670

IUPACN'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ccc(Br)cn1
InChIInChI=1S/C10H16BrN3/c1-2-5-12-6-7-13-10-4-3-9(11)8-14-10/h3-4,8,12H,2,5-7H2,1H3,(H,13,14)
InChIKeyLOBFXCDHHSQJPC-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.26
Rot. Bonds6

About N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine

N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine (PubChem CID 62662670) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
PubChem CID62662670
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ccc(Br)cn1
InChIInChI=1S/C10H16BrN3/c1-2-5-12-6-7-13-10-4-3-9(11)8-14-10/h3-4,8,12H,2,5-7H2,1H3,(H,13,14)
InChIKeyLOBFXCDHHSQJPC-UHFFFAOYSA-N
XLogP2.26
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine 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

N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
CID 115642455
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
1-(5-bromo-2-pyridinyl)-3-propylthiourea
CID 17254872
4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135431
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
5-N-ethyl-2-N-propylpyridine-2,5-diamine
CID 82104306
(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
CID 104813629
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 104810723

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine (CID 62662670) is N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine is CCCNCCNc1ccc(Br)cn1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine?
The InChIKey is LOBFXCDHHSQJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-2-5-12-6-7-13-10-4-3-9(11)8-14-10/h3-4,8,12H,2,5-7H2,1H3,(H,13,14).
What are the key properties of N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine?
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine has a molecular weight of 258.16 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 62662670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).