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

C14H20BrClN2 — CID 114837268

IUPAC3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(c1ncc(Cl)cc1Br)C1CCCC1
InChIInChI=1S/C14H20BrClN2/c1-10(2)9-18(12-5-3-4-6-12)14-13(15)7-11(16)8-17-14/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyGSFKAYGPMDMNKC-UHFFFAOYSA-N
MW331.69 g/mol
LogP4.90
Rot. Bonds4

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

3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 114837268) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
PubChem CID114837268
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(c1ncc(Cl)cc1Br)C1CCCC1
InChIInChI=1S/C14H20BrClN2/c1-10(2)9-18(12-5-3-4-6-12)14-13(15)7-11(16)8-17-14/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyGSFKAYGPMDMNKC-UHFFFAOYSA-N
XLogP4.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 114836828
N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
CID 114836415
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80629436
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
CID 102637773
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63487745

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine (CID 114837268) is 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine is CC(C)CN(c1ncc(Cl)cc1Br)C1CCCC1.
What is the InChIKey of 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is GSFKAYGPMDMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-10(2)9-18(12-5-3-4-6-12)14-13(15)7-11(16)8-17-14/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine?
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 331.69 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 114837268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).