2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine

C12H21NO — CID 164660554

IUPAC2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)CC2CC=CC2)O1
InChIInChI=1S/C12H21NO/c1-9-6-7-12(14-9)11(13)8-10-4-2-3-5-10/h2-3,9-12H,4-8,13H2,1H3
InChIKeyBXTRPTYFHQFZIH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds3

About 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine

2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 164660554) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID164660554
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)CC2CC=CC2)O1
InChIInChI=1S/C12H21NO/c1-9-6-7-12(14-9)11(13)8-10-4-2-3-5-10/h2-3,9-12H,4-8,13H2,1H3
InChIKeyBXTRPTYFHQFZIH-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[(Z)-prop-1-enyl]-2,3,3a,6,7,7a-hexahydro-1-benzofuran-2-yl]methanamine
CID 126680323
(1S)-3-(cyclohexa-1,5-dien-1-ylmethyl)-4-methyl-1-[(2S)-5-methylideneoxolan-2-yl]pentan-1-amine;ethane
CID 145566895
(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine
CID 177046376
Cyclopenten-1-yl(oxolan-2-yl)methanamine
CID 62079404
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156145
2-Cyclohex-3-en-1-yloxan-3-amine
CID 79365411
2-Cyclohex-3-en-1-yloxolan-3-amine
CID 79365764
Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79757909
3-Methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174294
1-(2-Methyloxolan-2-yl)hex-5-en-1-amine
CID 80174580
1-(2-Methyloxolan-2-yl)but-3-en-1-amine
CID 80174673
1-(2-Methyloxolan-2-yl)pent-4-en-1-amine
CID 80174677

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine (CID 164660554) is 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine is CC1CCC(C(N)CC2CC=CC2)O1.
What is the InChIKey of 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is BXTRPTYFHQFZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-6-7-12(14-9)11(13)8-10-4-2-3-5-10/h2-3,9-12H,4-8,13H2,1H3.
What are the key properties of 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine?
2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-yl-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 164660554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).