N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine

C12H18BrN3 — CID 114869559

IUPACN-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
SMILESCc1cc(NC2CCCC2CN)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-5-12(15-7-10(8)13)16-11-4-2-3-9(11)6-14/h5,7,9,11H,2-4,6,14H2,1H3,(H,15,16)
InChIKeyGEYYDNOHQSIFBW-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.69
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine

N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine (PubChem CID 114869559) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
PubChem CID114869559
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
SMILESCc1cc(NC2CCCC2CN)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-5-12(15-7-10(8)13)16-11-4-2-3-9(11)6-14/h5,7,9,11H,2-4,6,14H2,1H3,(H,15,16)
InChIKeyGEYYDNOHQSIFBW-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine (CID 114869559) is N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine is Cc1cc(NC2CCCC2CN)ncc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine?
The InChIKey is GEYYDNOHQSIFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-5-12(15-7-10(8)13)16-11-4-2-3-9(11)6-14/h5,7,9,11H,2-4,6,14H2,1H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine?
N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine is sourced from PubChem (CID 114869559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).