3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one

C14H27NO — CID 116573747

IUPAC3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one
SMILESCC1CCC(C(=O)C(C)(C)C(C)(C)N)CC1
InChIInChI=1S/C14H27NO/c1-10-6-8-11(9-7-10)12(16)13(2,3)14(4,5)15/h10-11H,6-9,15H2,1-5H3
InChIKeyQUSCHNICTFKMHX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.15
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one

3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one (PubChem CID 116573747) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one
PubChem CID116573747
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one
SMILESCC1CCC(C(=O)C(C)(C)C(C)(C)N)CC1
InChIInChI=1S/C14H27NO/c1-10-6-8-11(9-7-10)12(16)13(2,3)14(4,5)15/h10-11H,6-9,15H2,1-5H3
InChIKeyQUSCHNICTFKMHX-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056853
2-hydroxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one
CID 103456257
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
ethyl 2,2-difluoro-3-(4-methylcyclohexyl)-3-oxopropanoate
CID 62394136
CID 173230624
CID 173230624
2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
CID 116560204
ethane;3-methylcyclopentane-1-carboxamide;propane-2,2-diol
CID 171107207
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
CID 59938817
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
CID 106357091
2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one
CID 116710014

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one?
The IUPAC name of 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one (CID 116573747) is 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one?
The canonical SMILES for 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one is CC1CCC(C(=O)C(C)(C)C(C)(C)N)CC1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one?
The InChIKey is QUSCHNICTFKMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10-6-8-11(9-7-10)12(16)13(2,3)14(4,5)15/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one?
3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one is sourced from PubChem (CID 116573747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).