N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C15H27NO — CID 65156196

IUPACN-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C15H27NO/c1-5-16-15(13-8-6-7-9-13)14-10(2)11(3)17-12(14)4/h8,10-12,14-16H,5-7,9H2,1-4H3
InChIKeyQJUWWMHMJHTOSQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.13
Rot. Bonds4

About N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 65156196) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID65156196
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C15H27NO/c1-5-16-15(13-8-6-7-9-13)14-10(2)11(3)17-12(14)4/h8,10-12,14-16H,5-7,9H2,1-4H3
InChIKeyQJUWWMHMJHTOSQ-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 65156196) is N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(C1=CCCC1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is QJUWWMHMJHTOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-16-15(13-8-6-7-9-13)14-10(2)11(3)17-12(14)4/h8,10-12,14-16H,5-7,9H2,1-4H3.
What are the key properties of N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65156196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).