3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine

C16H25BrN2 — CID 106875830

IUPAC3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
SMILESCc1ccnc(NCC2(CC(C)C)CCCC2)c1Br
InChIInChI=1S/C16H25BrN2/c1-12(2)10-16(7-4-5-8-16)11-19-15-14(17)13(3)6-9-18-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyLUOMYHMTHFTHKL-UHFFFAOYSA-N
MW325.29 g/mol
LogP5.17
Rot. Bonds5

About 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine

3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine (PubChem CID 106875830) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
PubChem CID106875830
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
SMILESCc1ccnc(NCC2(CC(C)C)CCCC2)c1Br
InChIInChI=1S/C16H25BrN2/c1-12(2)10-16(7-4-5-8-16)11-19-15-14(17)13(3)6-9-18-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyLUOMYHMTHFTHKL-UHFFFAOYSA-N
XLogP5.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine (CID 106875830) is 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine is Cc1ccnc(NCC2(CC(C)C)CCCC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine?
The InChIKey is LUOMYHMTHFTHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(2)10-16(7-4-5-8-16)11-19-15-14(17)13(3)6-9-18-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine?
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine has a molecular weight of 325.29 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine is sourced from PubChem (CID 106875830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).