4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one

C16H23NO — CID 115235761

IUPAC4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO/c1-13(18)9-10-17(2)12-14-7-8-15-5-3-4-6-16(15)11-14/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyFPRKJQNJBKTZIS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.98
Rot. Bonds5

About 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one

4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one (PubChem CID 115235761) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
PubChem CID115235761
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
SMILESCC(=O)CCN(C)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO/c1-13(18)9-10-17(2)12-14-7-8-15-5-3-4-6-16(15)11-14/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyFPRKJQNJBKTZIS-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-1-ol
CID 115217645
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190288
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970
N-hydroxy-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 15670573
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 10536160

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one?
The IUPAC name of 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one (CID 115235761) is 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one?
The canonical SMILES for 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one is CC(=O)CCN(C)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one?
The InChIKey is FPRKJQNJBKTZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(18)9-10-17(2)12-14-7-8-15-5-3-4-6-16(15)11-14/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one?
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one has a molecular weight of 245.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one is sourced from PubChem (CID 115235761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).