3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine

C12H16Br2N2 — CID 107413889

IUPAC3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
SMILESCC1CCC(CNc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2/c1-8-2-3-9(4-8)6-15-12-11(14)5-10(13)7-16-12/h5,7-9H,2-4,6H2,1H3,(H,15,16)
InChIKeyBJKVQYJOOWYNJQ-UHFFFAOYSA-N
MW348.08 g/mol
LogP4.45
Rot. Bonds3

About 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine

3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine (PubChem CID 107413889) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
PubChem CID107413889
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
SMILESCC1CCC(CNc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2/c1-8-2-3-9(4-8)6-15-12-11(14)5-10(13)7-16-12/h5,7-9H,2-4,6H2,1H3,(H,15,16)
InChIKeyBJKVQYJOOWYNJQ-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130921142
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414024
3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 113413702
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106124986
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413310
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412103
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine (CID 107413889) is 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine is CC1CCC(CNc2ncc(Br)cc2Br)C1.
What is the InChIKey of 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine?
The InChIKey is BJKVQYJOOWYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c1-8-2-3-9(4-8)6-15-12-11(14)5-10(13)7-16-12/h5,7-9H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine?
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine has a molecular weight of 348.08 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine is sourced from PubChem (CID 107413889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).