7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one

C19H29NO — CID 116574150

IUPAC7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
SMILESCC(N)CCCC(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-14(7-5-8-15(2)20)19(21)13-17-11-6-10-16-9-3-4-12-18(16)17/h3-4,9,12,14-15,17H,5-8,10-11,13,20H2,1-2H3
InChIKeyOUIVVOOEJMUVLM-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.22
Rot. Bonds7

About 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one

7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one (PubChem CID 116574150) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
PubChem CID116574150
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
SMILESCC(N)CCCC(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-14(7-5-8-15(2)20)19(21)13-17-11-6-10-16-9-3-4-12-18(16)17/h3-4,9,12,14-15,17H,5-8,10-11,13,20H2,1-2H3
InChIKeyOUIVVOOEJMUVLM-UHFFFAOYSA-N
XLogP4.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine
CID 81194465
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
CID 116708142
N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111695405
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)butan-2-amine
CID 66233726
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine
CID 81188957

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
The IUPAC name of 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one (CID 116574150) is 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one.
What is the SMILES notation for 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
The canonical SMILES for 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one is CC(N)CCCC(C)C(=O)CC1CCCc2ccccc21.
What is the InChIKey of 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
The InChIKey is OUIVVOOEJMUVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(7-5-8-15(2)20)19(21)13-17-11-6-10-16-9-3-4-12-18(16)17/h3-4,9,12,14-15,17H,5-8,10-11,13,20H2,1-2H3.
What are the key properties of 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one has a molecular weight of 287.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one is sourced from PubChem (CID 116574150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).