N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine

C14H22BrN3 — CID 79717512

IUPACN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
SMILESCCN(c1ncc(Br)cc1C)C1CCCC1CN
InChIInChI=1S/C14H22BrN3/c1-3-18(13-6-4-5-11(13)8-16)14-10(2)7-12(15)9-17-14/h7,9,11,13H,3-6,8,16H2,1-2H3
InChIKeyWCYNBOMNQCRFEI-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine

N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine (PubChem CID 79717512) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
PubChem CID79717512
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
SMILESCCN(c1ncc(Br)cc1C)C1CCCC1CN
InChIInChI=1S/C14H22BrN3/c1-3-18(13-6-4-5-11(13)8-16)14-10(2)7-12(15)9-17-14/h7,9,11,13H,3-6,8,16H2,1-2H3
InChIKeyWCYNBOMNQCRFEI-UHFFFAOYSA-N
XLogP3.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine (CID 79717512) is N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine is CCN(c1ncc(Br)cc1C)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
The InChIKey is WCYNBOMNQCRFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-3-18(13-6-4-5-11(13)8-16)14-10(2)7-12(15)9-17-14/h7,9,11,13H,3-6,8,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine?
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine has a molecular weight of 312.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine is sourced from PubChem (CID 79717512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).