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

C14H27NO2 — CID 65046871

IUPAC2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine
SMILESCC1CCCC1NCCCOCC1CCCO1
InChIInChI=1S/C14H27NO2/c1-12-5-2-7-14(12)15-8-4-9-16-11-13-6-3-10-17-13/h12-15H,2-11H2,1H3
InChIKeyXPJDRHHZRXTEAT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds7

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

2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine (PubChem CID 65046871) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine
PubChem CID65046871
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine
SMILESCC1CCCC1NCCCOCC1CCCO1
InChIInChI=1S/C14H27NO2/c1-12-5-2-7-14(12)15-8-4-9-16-11-13-6-3-10-17-13/h12-15H,2-11H2,1H3
InChIKeyXPJDRHHZRXTEAT-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 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine (CID 65046871) is 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine is CC1CCCC1NCCCOCC1CCCO1.
What is the InChIKey of 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
The InChIKey is XPJDRHHZRXTEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-5-2-7-14(12)15-8-4-9-16-11-13-6-3-10-17-13/h12-15H,2-11H2,1H3.
What are the key properties of 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine?
2-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 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclopentan-1-amine is sourced from PubChem (CID 65046871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).