4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide

C15H28N2O2 — CID 83039312

IUPAC4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-10-8-11(16)4-5-13(10)14(18)17-12-6-7-19-15(2,3)9-12/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyCANSPQSOERPOCP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds2

About 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide

4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide (PubChem CID 83039312) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide
PubChem CID83039312
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-10-8-11(16)4-5-13(10)14(18)17-12-6-7-19-15(2,3)9-12/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyCANSPQSOERPOCP-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide
CID 114551073
cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092749
N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 83032762
3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 83028917
(2R,5S)-5-[(2,2-dimethyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945599
4-amino-2-methyl-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62781647
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
CID 83033010
(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide
CID 83033449
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide
CID 83033104
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide
CID 83033230
1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide
CID 122152344

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide (CID 83039312) is 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide?
The InChIKey is CANSPQSOERPOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10-8-11(16)4-5-13(10)14(18)17-12-6-7-19-15(2,3)9-12/h10-13H,4-9,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide?
4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 83039312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).