N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine

C11H18BrN3 — CID 106878733

IUPACN'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nccc(C)c1Br
InChIInChI=1S/C11H18BrN3/c1-4-13-7-8-15(3)11-10(12)9(2)5-6-14-11/h5-6,13H,4,7-8H2,1-3H3
InChIKeyNUBFKHBNBQQRSU-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.20
Rot. Bonds5

About N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine

N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 106878733) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID106878733
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nccc(C)c1Br
InChIInChI=1S/C11H18BrN3/c1-4-13-7-8-15(3)11-10(12)9(2)5-6-14-11/h5-6,13H,4,7-8H2,1-3H3
InChIKeyNUBFKHBNBQQRSU-UHFFFAOYSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
3-bromo-N,4-dimethyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106876609
N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine
CID 106535603
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
CID 106877136
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106879028
N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205674
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine (CID 106878733) is N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)c1nccc(C)c1Br.
What is the InChIKey of N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is NUBFKHBNBQQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-13-7-8-15(3)11-10(12)9(2)5-6-14-11/h5-6,13H,4,7-8H2,1-3H3.
What are the key properties of N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine?
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106878733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).