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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Related Compounds

CID 3003667
CID 3003667
CID 492697
CID 492697
CID 3001148
CID 3001148
CID 3002352
CID 3002352
CID 838785
CID 838785
CID 21037604
CID 21037604
CID 139532038
CID 139532038
CID 975753
CID 975753
CID 3002360
CID 3002360
CID 3640000
CID 3640000
CID 15945584
CID 15945584
CID 155511838
CID 155511838

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).