N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide

C15H30N2O — CID 114148900

IUPACN-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)(CCN)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,9-10-16)11-17-13(18)12-7-5-6-8-15(12,3)4/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyXPSXPXFXUVATEB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 114148900) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID114148900
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)(CCN)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,9-10-16)11-17-13(18)12-7-5-6-8-15(12,3)4/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyXPSXPXFXUVATEB-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107299247
N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920590
N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178617
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184694
2-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 107175829
N-(2-amino-2-ethylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107181003
N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107180415
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
CID 107182865
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 114148900) is N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide is CC(C)(CCN)CNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is XPSXPXFXUVATEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,9-10-16)11-17-13(18)12-7-5-6-8-15(12,3)4/h12H,5-11,16H2,1-4H3,(H,17,18).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 114148900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).