N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine

C13H19ClN2O — CID 106365414

IUPACN-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NC2CCCC2CCl)n1
InChIInChI=1S/C13H19ClN2O/c1-2-17-13-8-4-7-12(16-13)15-11-6-3-5-10(11)9-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyDOGCTCSODMCMHB-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine

N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine (PubChem CID 106365414) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine
PubChem CID106365414
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NC2CCCC2CCl)n1
InChIInChI=1S/C13H19ClN2O/c1-2-17-13-8-4-7-12(16-13)15-11-6-3-5-10(11)9-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyDOGCTCSODMCMHB-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine (CID 106365414) is N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine is CCOc1cccc(NC2CCCC2CCl)n1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine?
The InChIKey is DOGCTCSODMCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-17-13-8-4-7-12(16-13)15-11-6-3-5-10(11)9-14/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine?
N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-6-ethoxypyridin-2-amine is sourced from PubChem (CID 106365414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).