1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one

C15H27NO2 — CID 135292478

IUPAC1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one
SMILESCCC1CC2CC(C)(O)CC(C(N)C(C)=O)(C1)C2
InChIInChI=1S/C15H27NO2/c1-4-11-5-12-6-14(3,18)9-15(7-11,8-12)13(16)10(2)17/h11-13,18H,4-9,16H2,1-3H3
InChIKeyWKJYGMOFNNPYQB-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.26
Rot. Bonds3

About 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one

1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one (PubChem CID 135292478) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one
PubChem CID135292478
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one
SMILESCCC1CC2CC(C)(O)CC(C(N)C(C)=O)(C1)C2
InChIInChI=1S/C15H27NO2/c1-4-11-5-12-6-14(3,18)9-15(7-11,8-12)13(16)10(2)17/h11-13,18H,4-9,16H2,1-3H3
InChIKeyWKJYGMOFNNPYQB-UHFFFAOYSA-N
XLogP2.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one with MolForge

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Related Compounds

(3S)-2-[(2S)-2-amino-2-(3-hydroxy-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetyl]-6-methyl-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 139418247
(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 70339285
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
CID 23596418
(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
CID 104992588
2-chloro-N-(3-propan-2-yl-1-adamantyl)acetamide
CID 15313641
2-amino-2-(3-hydroxy-1-adamantyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 164909551
1-[3-(2-aminoethyl)-7-ethyl-1-bicyclo[3.3.1]nonanyl]ethyl nitrate
CID 155354768
1-(3-propan-2-yl-1-adamantyl)propan-1-one
CID 12659808
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
CID 11173505
(2R)-2-chloro-2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid
CID 129418689
2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid
CID 166943694

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one?
The IUPAC name of 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one (CID 135292478) is 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one?
The canonical SMILES for 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one is CCC1CC2CC(C)(O)CC(C(N)C(C)=O)(C1)C2.
What is the InChIKey of 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one?
The InChIKey is WKJYGMOFNNPYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-11-5-12-6-14(3,18)9-15(7-11,8-12)13(16)10(2)17/h11-13,18H,4-9,16H2,1-3H3.
What are the key properties of 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one?
1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)propan-2-one is sourced from PubChem (CID 135292478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).