3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C17H20BrN3 — CID 43707957

IUPAC3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C17H20BrN3/c1-21(2)17-16(7-4-8-19-17)20-15-10-13(11-15)12-5-3-6-14(18)9-12/h3-9,13,15,20H,10-11H2,1-2H3
InChIKeyRQNIEUHDUSLLRQ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.27
Rot. Bonds4

About 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43707957) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43707957
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C17H20BrN3/c1-21(2)17-16(7-4-8-19-17)20-15-10-13(11-15)12-5-3-6-14(18)9-12/h3-9,13,15,20H,10-11H2,1-2H3
InChIKeyRQNIEUHDUSLLRQ-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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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43707957) is 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is RQNIEUHDUSLLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-21(2)17-16(7-4-8-19-17)20-15-10-13(11-15)12-5-3-6-14(18)9-12/h3-9,13,15,20H,10-11H2,1-2H3.
What are the key properties of 3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[3-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-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-(3-bromophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43707957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).