2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine

C12H20BrN3 — CID 63962390

IUPAC2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1cccc(Br)n1
InChIInChI=1S/C12H20BrN3/c1-4-16(5-2)9-10(3)14-12-8-6-7-11(13)15-12/h6-8,10H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyIOUDXYKTICJISE-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.99
Rot. Bonds6

About 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine

2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 63962390) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID63962390
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1cccc(Br)n1
InChIInChI=1S/C12H20BrN3/c1-4-16(5-2)9-10(3)14-12-8-6-7-11(13)15-12/h6-8,10H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyIOUDXYKTICJISE-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 63961953
3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol
CID 130878127
4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957518
6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine
CID 130774419
2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile
CID 87212598
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 167789562
N-butan-2-yl-6-methylpyridin-2-amine
CID 60877372
4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 80815883
3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
CID 102984071
6-bromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106232839
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine (CID 63962390) is 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)Nc1cccc(Br)n1.
What is the InChIKey of 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is IOUDXYKTICJISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-16(5-2)9-10(3)14-12-8-6-7-11(13)15-12/h6-8,10H,4-5,9H2,1-3H3,(H,14,15).
What are the key properties of 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 286.22 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 63962390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).