(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone

C15H27NO2 — CID 116587762

IUPAC(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)C1CCCC(C)C1
InChIInChI=1S/C15H27NO2/c1-3-7-16-14-10-18-9-13(14)15(17)12-6-4-5-11(2)8-12/h11-14,16H,3-10H2,1-2H3
InChIKeyIKLIRYWGNVUTRD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.40
Rot. Bonds5

About (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone

(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116587762) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116587762
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)C1CCCC(C)C1
InChIInChI=1S/C15H27NO2/c1-3-7-16-14-10-18-9-13(14)15(17)12-6-4-5-11(2)8-12/h11-14,16H,3-10H2,1-2H3
InChIKeyIKLIRYWGNVUTRD-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 116587762) is (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)C1CCCC(C)C1.
What is the InChIKey of (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is IKLIRYWGNVUTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-7-16-14-10-18-9-13(14)15(17)12-6-4-5-11(2)8-12/h11-14,16H,3-10H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone?
(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116587762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).