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

C18H21NO — CID 114939283

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc2c3c(cccc13)CC2)C1CCCO1
InChIInChI=1S/C18H21NO/c1-19-18(16-6-3-11-20-16)15-10-9-13-8-7-12-4-2-5-14(15)17(12)13/h2,4-5,9-10,16,18-19H,3,6-8,11H2,1H3
InChIKeyULMPWXAOZBNOHL-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.38
Rot. Bonds3

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

1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 114939283) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID114939283
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc2c3c(cccc13)CC2)C1CCCO1
InChIInChI=1S/C18H21NO/c1-19-18(16-6-3-11-20-16)15-10-9-13-8-7-12-4-2-5-14(15)17(12)13/h2,4-5,9-10,16,18-19H,3,6-8,11H2,1H3
InChIKeyULMPWXAOZBNOHL-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.38
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-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 114939283) is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1ccc2c3c(cccc13)CC2)C1CCCO1.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is ULMPWXAOZBNOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-18(16-6-3-11-20-16)15-10-9-13-8-7-12-4-2-5-14(15)17(12)13/h2,4-5,9-10,16,18-19H,3,6-8,11H2,1H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.38, 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-(oxolan-2-yl)methanamine is sourced from PubChem (CID 114939283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).