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

C13H19BrClN3 — CID 103582869

IUPACN-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
SMILESNCC(Nc1ncc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H19BrClN3/c14-10-6-11(15)13(17-8-10)18-12(7-16)9-4-2-1-3-5-9/h6,8-9,12H,1-5,7,16H2,(H,17,18)
InChIKeyJQYSHTSRUQUCQV-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.82
Rot. Bonds4

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

N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine (PubChem CID 103582869) has the molecular formula C13H19BrClN3 and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
PubChem CID103582869
Molecular FormulaC13H19BrClN3
Molecular Weight332.67 g/mol
Exact Mass331.05
IUPAC NameN-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
SMILESNCC(Nc1ncc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H19BrClN3/c14-10-6-11(15)13(17-8-10)18-12(7-16)9-4-2-1-3-5-9/h6,8-9,12H,1-5,7,16H2,(H,17,18)
InChIKeyJQYSHTSRUQUCQV-UHFFFAOYSA-N
XLogP3.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine
CID 106738307
5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
CID 63406303
N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine
CID 105370003
5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
CID 103582526
1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 115309628
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061374
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
CID 104721878
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 106738090

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine (CID 103582869) is N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine is NCC(Nc1ncc(Br)cc1Cl)C1CCCCC1.
What is the InChIKey of N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine?
The InChIKey is JQYSHTSRUQUCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3/c14-10-6-11(15)13(17-8-10)18-12(7-16)9-4-2-1-3-5-9/h6,8-9,12H,1-5,7,16H2,(H,17,18).
What are the key properties of N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine?
N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine has a molecular weight of 332.67 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 103582869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).