N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine

C12H19BrClN3 — CID 106142695

IUPACN-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C12H19BrClN3/c1-12(2,4-3-5-15)8-17-11-10(13)6-9(14)7-16-11/h6-7H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyGUOQXQSQTYZHCR-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.67
Rot. Bonds6

About N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine

N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine (PubChem CID 106142695) has the molecular formula C12H19BrClN3 and a molecular weight of 320.66 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
PubChem CID106142695
Molecular FormulaC12H19BrClN3
Molecular Weight320.66 g/mol
Exact Mass319.05
IUPAC NameN-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C12H19BrClN3/c1-12(2,4-3-5-15)8-17-11-10(13)6-9(14)7-16-11/h6-7H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyGUOQXQSQTYZHCR-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
CID 106141963
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine
CID 106142190
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142919
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 114836148
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine (CID 106142695) is N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine is CC(C)(CCCN)CNc1ncc(Cl)cc1Br.
What is the InChIKey of N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine?
The InChIKey is GUOQXQSQTYZHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrClN3/c1-12(2,4-3-5-15)8-17-11-10(13)6-9(14)7-16-11/h6-7H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine?
N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine has a molecular weight of 320.66 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 106142695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).