N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide

C15H24N2O — CID 70581327

IUPACN-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCC2C(=C1)NC(C)CC2(C)C
InChIInChI=1S/C15H24N2O/c1-10-8-15(3,4)13-6-5-12(7-14(13)17-10)9-16-11(2)18/h5,7,10,13,17H,6,8-9H2,1-4H3,(H,16,18)
InChIKeyBJLUXQSVMMWXRZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds2

About N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide

N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide (PubChem CID 70581327) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide
PubChem CID70581327
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCC2C(=C1)NC(C)CC2(C)C
InChIInChI=1S/C15H24N2O/c1-10-8-15(3,4)13-6-5-12(7-14(13)17-10)9-16-11(2)18/h5,7,10,13,17H,6,8-9H2,1-4H3,(H,16,18)
InChIKeyBJLUXQSVMMWXRZ-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide?
The IUPAC name of N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide (CID 70581327) is N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide is CC(=O)NCC1=CCC2C(=C1)NC(C)CC2(C)C.
What is the InChIKey of N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide?
The InChIKey is BJLUXQSVMMWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-15(3,4)13-6-5-12(7-14(13)17-10)9-16-11(2)18/h5,7,10,13,17H,6,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide?
N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,4-trimethyl-2,3,4a,5-tetrahydro-1H-quinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 70581327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).