1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane

C18H31NO — CID 142121679

IUPAC1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
SMILESCC.CC.CCC(=O)N1CCC(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO.2C2H6/c1-4-13(16)15-10-9-14(2,3)11-7-5-6-8-12(11)15;2*1-2/h5-8H,4,9-10H2,1-3H3;2*1-2H3
InChIKeyDWSCPDHTXPICQK-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.16
Rot. Bonds1

About 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane

1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane (PubChem CID 142121679) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
PubChem CID142121679
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
SMILESCC.CC.CCC(=O)N1CCC(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO.2C2H6/c1-4-13(16)15-10-9-14(2,3)11-7-5-6-8-12(11)15;2*1-2/h5-8H,4,9-10H2,1-3H3;2*1-2H3
InChIKeyDWSCPDHTXPICQK-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane?
The IUPAC name of 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane (CID 142121679) is 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane?
The canonical SMILES for 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane is CC.CC.CCC(=O)N1CCC(C)(C)c2ccccc21.
What is the InChIKey of 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane?
The InChIKey is DWSCPDHTXPICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.2C2H6/c1-4-13(16)15-10-9-14(2,3)11-7-5-6-8-12(11)15;2*1-2/h5-8H,4,9-10H2,1-3H3;2*1-2H3.
What are the key properties of 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane?
1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane has a molecular weight of 277.45 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane is sourced from PubChem (CID 142121679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).