3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C17H20BrN3 — CID 43678696

IUPAC3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H20BrN3/c1-21(2)17-7-8-19-11-16(17)20-15-9-13(10-15)12-3-5-14(18)6-4-12/h3-8,11,13,15,20H,9-10H2,1-2H3
InChIKeyHTIUQWFOVNKIFG-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.27
Rot. Bonds4

About 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678696) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678696
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H20BrN3/c1-21(2)17-7-8-19-11-16(17)20-15-9-13(10-15)12-3-5-14(18)6-4-12/h3-8,11,13,15,20H,9-10H2,1-2H3
InChIKeyHTIUQWFOVNKIFG-UHFFFAOYSA-N
XLogP4.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 79461219
3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678526
3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678524
4-methyl-N-(3-phenylcyclobutyl)pyridin-3-amine
CID 63329771
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
3-N-(2,5-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 64761403
4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine
CID 43779940
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 43634519
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 64761401
4-N,4-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3,4-diamine
CID 43678601
N-[3-(4-bromophenyl)cyclobutyl]-4-methoxy-2-methylaniline
CID 63477720

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678696) is 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CN(C)c1ccncc1NC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is HTIUQWFOVNKIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-21(2)17-7-8-19-11-16(17)20-15-9-13(10-15)12-3-5-14(18)6-4-12/h3-8,11,13,15,20H,9-10H2,1-2H3.
What are the key properties of 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 346.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(4-bromophenyl)cyclobutyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).