N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C11H18BrN3 — CID 104779291

IUPACN'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)c1ccncc1Br
InChIInChI=1S/C11H18BrN3/c1-9(2)8-15(6-4-13)11-3-5-14-7-10(11)12/h3,5,7,9H,4,6,8,13H2,1-2H3
InChIKeyVIZKZOWQDXNTCD-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.27
Rot. Bonds5

About N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 104779291) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID104779291
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)c1ccncc1Br
InChIInChI=1S/C11H18BrN3/c1-9(2)8-15(6-4-13)11-3-5-14-7-10(11)12/h3,5,7,9H,4,6,8,13H2,1-2H3
InChIKeyVIZKZOWQDXNTCD-UHFFFAOYSA-N
XLogP2.27
TPSA42.15 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-pyridinyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 113451993
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
CID 107490053
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
CID 104777752
6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947905
3-[(3-bromo-4-pyridinyl)-propan-2-ylamino]propanethioamide
CID 104776587
N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
CID 104779301
N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
CID 104777664
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572
N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine
CID 113452094

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 104779291) is N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN)c1ccncc1Br.
What is the InChIKey of N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is VIZKZOWQDXNTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-9(2)8-15(6-4-13)11-3-5-14-7-10(11)12/h3,5,7,9H,4,6,8,13H2,1-2H3.
What are the key properties of N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.27, 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-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 104779291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).