4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide

C15H28N2O2 — CID 102628487

IUPAC4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC2CCOC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-10-13(16)5-4-12(15(10,2)3)14(18)17-8-11-6-7-19-9-11/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyXXNGRNCSJJSQLS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.54
Rot. Bonds3

About 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 102628487) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID102628487
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC2CCOC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-10-13(16)5-4-12(15(10,2)3)14(18)17-8-11-6-7-19-9-11/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyXXNGRNCSJJSQLS-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 102629005
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
2-amino-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 62825271
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
3-amino-5-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 113396384
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 102628994

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide (CID 102628487) is 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCC2CCOC2)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is XXNGRNCSJJSQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10-13(16)5-4-12(15(10,2)3)14(18)17-8-11-6-7-19-9-11/h10-13H,4-9,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102628487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).