3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine

C14H27NO2 — CID 64501662

IUPAC3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine
SMILESCC1CCC(NCCCOCC2CCCO2)C1
InChIInChI=1S/C14H27NO2/c1-12-5-6-13(10-12)15-7-3-8-16-11-14-4-2-9-17-14/h12-15H,2-11H2,1H3
InChIKeyYFBJKRTVRAHCOH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds7

About 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine

3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine (PubChem CID 64501662) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine
PubChem CID64501662
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine
SMILESCC1CCC(NCCCOCC2CCCO2)C1
InChIInChI=1S/C14H27NO2/c1-12-5-6-13(10-12)15-7-3-8-16-11-14-4-2-9-17-14/h12-15H,2-11H2,1H3
InChIKeyYFBJKRTVRAHCOH-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine (CID 64501662) is 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine is CC1CCC(NCCCOCC2CCCO2)C1.
What is the InChIKey of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
The InChIKey is YFBJKRTVRAHCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-5-6-13(10-12)15-7-3-8-16-11-14-4-2-9-17-14/h12-15H,2-11H2,1H3.
What are the key properties of 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine is sourced from PubChem (CID 64501662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).