5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine

C15H22BrClN2 — CID 103583405

IUPAC5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ncc(Br)cc1Cl)C1CCCC1
InChIInChI=1S/C15H22BrClN2/c1-11(2)7-8-19(13-5-3-4-6-13)15-14(17)9-12(16)10-18-15/h9-11,13H,3-8H2,1-2H3
InChIKeyUIJNOMYMPPXHRV-UHFFFAOYSA-N
MW345.71 g/mol
LogP5.29
Rot. Bonds5

About 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine

5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 103583405) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
PubChem CID103583405
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ncc(Br)cc1Cl)C1CCCC1
InChIInChI=1S/C15H22BrClN2/c1-11(2)7-8-19(13-5-3-4-6-13)15-14(17)9-12(16)10-18-15/h9-11,13H,3-8H2,1-2H3
InChIKeyUIJNOMYMPPXHRV-UHFFFAOYSA-N
XLogP5.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.71
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943847
N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 103582177
3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943846
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 79033246
5-bromo-N-(2-bromoethyl)-N-cyclohexyl-3-methylpyridin-2-amine
CID 80677070
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78974449
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine (CID 103583405) is 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(c1ncc(Br)cc1Cl)C1CCCC1.
What is the InChIKey of 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is UIJNOMYMPPXHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-11(2)7-8-19(13-5-3-4-6-13)15-14(17)9-12(16)10-18-15/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine?
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 345.71 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 103583405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).