N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine

C14H21ClN2O — CID 106365544

IUPACN-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NC1CCCC1CCl
InChIInChI=1S/C14H21ClN2O/c1-10(2)18-13-7-4-8-16-14(13)17-12-6-3-5-11(12)9-15/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,16,17)
InChIKeyQSNWIWULVPHPKK-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine

N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine (PubChem CID 106365544) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine
PubChem CID106365544
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NC1CCCC1CCl
InChIInChI=1S/C14H21ClN2O/c1-10(2)18-13-7-4-8-16-14(13)17-12-6-3-5-11(12)9-15/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,16,17)
InChIKeyQSNWIWULVPHPKK-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.69
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]-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine (CID 106365544) is N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cccnc1NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine?
The InChIKey is QSNWIWULVPHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)18-13-7-4-8-16-14(13)17-12-6-3-5-11(12)9-15/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine?
N-[2-(chloromethyl)cyclopentyl]-3-propan-2-yloxypyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 3.69, 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]-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 106365544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).