2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine

C11H22ClNO — CID 106365073

IUPAC2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
SMILESCCOCCCNC1CCCC1CCl
InChIInChI=1S/C11H22ClNO/c1-2-14-8-4-7-13-11-6-3-5-10(11)9-12/h10-11,13H,2-9H2,1H3
InChIKeyPFDIFKZFMXKSCJ-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.41
Rot. Bonds7

About 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine

2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine (PubChem CID 106365073) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
PubChem CID106365073
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
SMILESCCOCCCNC1CCCC1CCl
InChIInChI=1S/C11H22ClNO/c1-2-14-8-4-7-13-11-6-3-5-10(11)9-12/h10-11,13H,2-9H2,1H3
InChIKeyPFDIFKZFMXKSCJ-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine (CID 106365073) is 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine is CCOCCCNC1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine?
The InChIKey is PFDIFKZFMXKSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-2-14-8-4-7-13-11-6-3-5-10(11)9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine?
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine has a molecular weight of 219.76 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine is sourced from PubChem (CID 106365073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).