3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one

C18H23NO — CID 116614651

IUPAC3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
SMILESCC(C)(C)CC(N)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO/c1-18(2,3)12-16(19)11-17(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16H,11-12,19H2,1-3H3
InChIKeyKLTCOQPASCRPLT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.18
Rot. Bonds4

About 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one

3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one (PubChem CID 116614651) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
PubChem CID116614651
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
SMILESCC(C)(C)CC(N)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO/c1-18(2,3)12-16(19)11-17(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16H,11-12,19H2,1-3H3
InChIKeyKLTCOQPASCRPLT-UHFFFAOYSA-N
XLogP4.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
CID 116608473
3-amino-1-(3,4-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614648
3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
CID 116614561
3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one
CID 116614614
3-amino-1-(1-benzofuran-2-yl)-5,5-dimethylhexan-1-one
CID 114737419
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-naphthalen-2-yl-4-oxobutanoate
CID 162417631
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
2-methyl-4-naphthalen-2-yl-4-oxobutanenitrile
CID 53372806
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-yl-4-oxobutanoate
CID 101256982
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
CID 116576897

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one?
The IUPAC name of 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one (CID 116614651) is 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one.
What is the SMILES notation for 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one?
The canonical SMILES for 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one is CC(C)(C)CC(N)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one?
The InChIKey is KLTCOQPASCRPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2,3)12-16(19)11-17(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16H,11-12,19H2,1-3H3.
What are the key properties of 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one?
3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one has a molecular weight of 269.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one is sourced from PubChem (CID 116614651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).