1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine

C11H20ClNO — CID 65025764

IUPAC1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
SMILESClCC1(NCC2CCCO2)CCCC1
InChIInChI=1S/C11H20ClNO/c12-9-11(5-1-2-6-11)13-8-10-4-3-7-14-10/h10,13H,1-9H2
InChIKeyFLPNAIWQTBJOEM-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.31
Rot. Bonds4

About 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine

1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine (PubChem CID 65025764) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
PubChem CID65025764
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
SMILESClCC1(NCC2CCCO2)CCCC1
InChIInChI=1S/C11H20ClNO/c12-9-11(5-1-2-6-11)13-8-10-4-3-7-14-10/h10,13H,1-9H2
InChIKeyFLPNAIWQTBJOEM-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine (CID 65025764) is 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine is ClCC1(NCC2CCCO2)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is FLPNAIWQTBJOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-9-11(5-1-2-6-11)13-8-10-4-3-7-14-10/h10,13H,1-9H2.
What are the key properties of 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 217.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 65025764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).