2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one

C18H29NO — CID 163551258

IUPAC2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one
SMILESCN1C2CC3C(C(=O)C(C)(C)C)CCCC3C1C1CC12
InChIInChI=1S/C18H29NO/c1-18(2,3)17(20)11-7-5-6-10-12(11)9-15-13-8-14(13)16(10)19(15)4/h10-16H,5-9H2,1-4H3
InChIKeyGIOURJQACRMHOM-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.36
Rot. Bonds1

About 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one

2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one (PubChem CID 163551258) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one
PubChem CID163551258
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one
SMILESCN1C2CC3C(C(=O)C(C)(C)C)CCCC3C1C1CC12
InChIInChI=1S/C18H29NO/c1-18(2,3)17(20)11-7-5-6-10-12(11)9-15-13-8-14(13)16(10)19(15)4/h10-16H,5-9H2,1-4H3
InChIKeyGIOURJQACRMHOM-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one with MolForge

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Related Compounds

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CID 169320620
1-[(1S,3aS,5R,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2,2-dimethylpropan-1-one
CID 10727185
9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol
CID 12068821
(1R,2S,4R,5S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-ol
CID 130991403
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247
1-(9-azatetracyclo[5.4.1.02,6.08,11]dodecan-9-yl)-2,2-dimethylbutan-1-one
CID 118029147
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CID 101029162
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane
CID 126672500
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone
CID 58849784

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one (CID 163551258) is 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one is CN1C2CC3C(C(=O)C(C)(C)C)CCCC3C1C1CC12.
What is the InChIKey of 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one?
The InChIKey is GIOURJQACRMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)17(20)11-7-5-6-10-12(11)9-15-13-8-14(13)16(10)19(15)4/h10-16H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one?
2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one has a molecular weight of 275.44 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(13-methyl-13-azatetracyclo[7.3.1.02,7.010,12]tridecan-6-yl)propan-1-one is sourced from PubChem (CID 163551258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).