1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

C17H25NO — CID 116556095

IUPAC1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESCCC(C)NCC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H25NO/c1-3-13(2)18-12-16(19)11-15-9-6-8-14-7-4-5-10-17(14)15/h4-5,7,10,13,15,18H,3,6,8-9,11-12H2,1-2H3
InChIKeyMWLHNFKPBQXSIE-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.45
Rot. Bonds6

About 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (PubChem CID 116556095) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
PubChem CID116556095
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESCCC(C)NCC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H25NO/c1-3-13(2)18-12-16(19)11-15-9-6-8-14-7-4-5-10-17(14)15/h4-5,7,10,13,15,18H,3,6,8-9,11-12H2,1-2H3
InChIKeyMWLHNFKPBQXSIE-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116586776
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 64540894
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
CID 116574746
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (CID 116556095) is 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is CCC(C)NCC(=O)CC1CCCc2ccccc21.
What is the InChIKey of 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The InChIKey is MWLHNFKPBQXSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-13(2)18-12-16(19)11-15-9-6-8-14-7-4-5-10-17(14)15/h4-5,7,10,13,15,18H,3,6,8-9,11-12H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 116556095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).