5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide

C15H30N2O — CID 102706911

IUPAC5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NC(C)C(C)(C)C)CC1N
InChIInChI=1S/C15H30N2O/c1-9-7-10(2)13(16)8-12(9)14(18)17-11(3)15(4,5)6/h9-13H,7-8,16H2,1-6H3,(H,17,18)
InChIKeyTWPJJPMXOPHRBJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.55
Rot. Bonds2

About 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706911) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706911
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NC(C)C(C)(C)C)CC1N
InChIInChI=1S/C15H30N2O/c1-9-7-10(2)13(16)8-12(9)14(18)17-11(3)15(4,5)6/h9-13H,7-8,16H2,1-6H3,(H,17,18)
InChIKeyTWPJJPMXOPHRBJ-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706891
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706633
trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 130725617
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
CID 102706657
5-amino-2,4-dimethyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 102706892
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 102706702
5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106280309
5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706675
3-(3,3-dimethylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115978031

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide (CID 102706911) is 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide is CC1CC(C)C(C(=O)NC(C)C(C)(C)C)CC1N.
What is the InChIKey of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is TWPJJPMXOPHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-9-7-10(2)13(16)8-12(9)14(18)17-11(3)15(4,5)6/h9-13H,7-8,16H2,1-6H3,(H,17,18).
What are the key properties of 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).