7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one

C19H29NO — CID 116574746

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

About 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one

7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one (PubChem CID 116574746) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one.

Molecular Properties

Compound Name7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
PubChem CID116574746
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
SMILESCC(C)(CCN)CCC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-19(2,12-13-20)11-10-17(21)14-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,16H,5,7-8,10-14,20H2,1-2H3
InChIKeyBCYWUJPJMMMDST-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

1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
3-methyl-3-methylsulfonyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964179
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964228
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116586776
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262

Frequently Asked Questions

What is the IUPAC name of 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one?
The IUPAC name of 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one (CID 116574746) is 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one.
What is the SMILES notation for 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one?
The canonical SMILES for 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one is CC(C)(CCN)CCC(=O)CC1CCCc2ccccc21.
What is the InChIKey of 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one?
The InChIKey is BCYWUJPJMMMDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2,12-13-20)11-10-17(21)14-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9,16H,5,7-8,10-14,20H2,1-2H3.
What are the key properties of 7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one?
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-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-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one is sourced from PubChem (CID 116574746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).