5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine

C20H27N — CID 114939826

IUPAC5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)CCc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H27N/c1-3-21-14-13-15(2)7-8-16-9-10-18-12-11-17-5-4-6-19(16)20(17)18/h4-6,9-10,15,21H,3,7-8,11-14H2,1-2H3
InChIKeyQOAKDFYUTFNYCT-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.51
Rot. Bonds7

About 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine

5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 114939826) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine
PubChem CID114939826
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)CCc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H27N/c1-3-21-14-13-15(2)7-8-16-9-10-18-12-11-17-5-4-6-19(16)20(17)18/h4-6,9-10,15,21H,3,7-8,11-14H2,1-2H3
InChIKeyQOAKDFYUTFNYCT-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine (CID 114939826) is 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine is CCNCCC(C)CCc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is QOAKDFYUTFNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-21-14-13-15(2)7-8-16-9-10-18-12-11-17-5-4-6-19(16)20(17)18/h4-6,9-10,15,21H,3,7-8,11-14H2,1-2H3.
What are the key properties of 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine?
5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroacenaphthylen-5-yl)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 114939826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).