1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine

C13H20BrN3 — CID 113475113

IUPAC1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C13H20BrN3/c1-9(10-2-3-10)6-17-13(5-15)11-4-12(14)8-16-7-11/h4,7-10,13,17H,2-3,5-6,15H2,1H3
InChIKeyZNWVPVIKRISTPF-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.48
Rot. Bonds6

About 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine

1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine (PubChem CID 113475113) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
PubChem CID113475113
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
SMILESCC(CNC(CN)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C13H20BrN3/c1-9(10-2-3-10)6-17-13(5-15)11-4-12(14)8-16-7-11/h4,7-10,13,17H,2-3,5-6,15H2,1H3
InChIKeyZNWVPVIKRISTPF-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
CID 113469387
N-(2-cyclopropylpropyl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
CID 114075593
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114076876
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
N-(2-cyclopropylpropyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 113475087
(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022
N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651487
(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
CID 160748574
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
1-(5-bromo-3-pyridinyl)butylhydrazine
CID 105251041
2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115623727
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine (CID 113475113) is 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine is CC(CNC(CN)c1cncc(Br)c1)C1CC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
The InChIKey is ZNWVPVIKRISTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-9(10-2-3-10)6-17-13(5-15)11-4-12(14)8-16-7-11/h4,7-10,13,17H,2-3,5-6,15H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine?
1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine has a molecular weight of 298.23 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 113475113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).