N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine

C12H19Br2N3 — CID 113413937

IUPACN'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ncc(Br)cc1Br
InChIInChI=1S/C12H19Br2N3/c1-4-17(6-5-15-9(2)3)12-11(14)7-10(13)8-16-12/h7-9,15H,4-6H2,1-3H3
InChIKeyQYJCNEAKENBGQR-UHFFFAOYSA-N
MW365.11 g/mol
LogP3.43
Rot. Bonds6

About N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine

N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 113413937) has the molecular formula C12H19Br2N3 and a molecular weight of 365.11 g/mol. Its IUPAC name is N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID113413937
Molecular FormulaC12H19Br2N3
Molecular Weight365.11 g/mol
Exact Mass362.99
IUPAC NameN'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ncc(Br)cc1Br
InChIInChI=1S/C12H19Br2N3/c1-4-17(6-5-15-9(2)3)12-11(14)7-10(13)8-16-12/h7-9,15H,4-6H2,1-3H3
InChIKeyQYJCNEAKENBGQR-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
5-bromo-N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279366
2-N-(3,5-dibromo-2-pyridinyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190681
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384
N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62588191
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
N'-ethyl-N'-(5-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 62587829
N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 62587832
N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585499
N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 63229161
5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288093
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine (CID 113413937) is N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)c1ncc(Br)cc1Br.
What is the InChIKey of N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is QYJCNEAKENBGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2N3/c1-4-17(6-5-15-9(2)3)12-11(14)7-10(13)8-16-12/h7-9,15H,4-6H2,1-3H3.
What are the key properties of N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 365.11 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113413937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).