[3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine

C12H21NO — CID 131172223

IUPAC[3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CC2=CCCC2)CCCOC1
InChIInChI=1S/C12H21NO/c13-9-12(6-3-7-14-10-12)8-11-4-1-2-5-11/h4H,1-3,5-10,13H2
InChIKeyOSNVOCRILHUBKZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds3

About [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine

[3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine (PubChem CID 131172223) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine
PubChem CID131172223
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CC2=CCCC2)CCCOC1
InChIInChI=1S/C12H21NO/c13-9-12(6-3-7-14-10-12)8-11-4-1-2-5-11/h4H,1-3,5-10,13H2
InChIKeyOSNVOCRILHUBKZ-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

Cyclopenten-1-yl(oxan-3-yl)methanamine
CID 63014527
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636
3-(3-Ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65178070
[2-(3,5-Dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
CID 103277815
2-(Cyclohexen-1-yl)-1-(oxan-3-yl)ethanamine
CID 107136848
[2-(Cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 113549580
[4-(Cyclohexen-1-yl)oxan-4-yl]methanamine
CID 116659366
(3-Cyclohex-2-en-1-yloxolan-3-yl)methanamine
CID 130514925
[3-(2-Methylprop-2-enyl)oxan-3-yl]methanamine
CID 130514940
(3-Cyclohex-2-en-1-yloxan-3-yl)methanamine
CID 130514951
[3-[(E)-but-2-enyl]oxan-3-yl]methanamine
CID 130514959

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine (CID 131172223) is [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine is NCC1(CC2=CCCC2)CCCOC1.
What is the InChIKey of [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine?
The InChIKey is OSNVOCRILHUBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-9-12(6-3-7-14-10-12)8-11-4-1-2-5-11/h4H,1-3,5-10,13H2.
What are the key properties of [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine?
[3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine 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 [3-(cyclopenten-1-ylmethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 131172223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).