1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C19H23NO — CID 114939266

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc2c3c(cccc13)CC2)C1CCC(C)O1
InChIInChI=1S/C19H23NO/c1-12-6-11-17(21-12)19(20-2)16-10-9-14-8-7-13-4-3-5-15(16)18(13)14/h3-5,9-10,12,17,19-20H,6-8,11H2,1-2H3
InChIKeyRILYVWHNEDUKPP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.77
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 114939266) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID114939266
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1ccc2c3c(cccc13)CC2)C1CCC(C)O1
InChIInChI=1S/C19H23NO/c1-12-6-11-17(21-12)19(20-2)16-10-9-14-8-7-13-4-3-5-15(16)18(13)14/h3-5,9-10,12,17,19-20H,6-8,11H2,1-2H3
InChIKeyRILYVWHNEDUKPP-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 114939266) is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CNC(c1ccc2c3c(cccc13)CC2)C1CCC(C)O1.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is RILYVWHNEDUKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12-6-11-17(21-12)19(20-2)16-10-9-14-8-7-13-4-3-5-15(16)18(13)14/h3-5,9-10,12,17,19-20H,6-8,11H2,1-2H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 114939266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).