1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 65292201

IUPAC1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(CCN)CCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,10-11-16)9-6-12(18)17-15(13(19)20)7-4-3-5-8-15/h3-11,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMUTSYIPWZUAUKC-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.05
Rot. Bonds7

About 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid

1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65292201) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID65292201
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(CCN)CCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,10-11-16)9-6-12(18)17-15(13(19)20)7-4-3-5-8-15/h3-11,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMUTSYIPWZUAUKC-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 65292395
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid
CID 81162326
1-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120666261
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
6-amino-4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]hexanamide
CID 65291143
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
CID 115910145
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid (CID 65292201) is 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)(CCN)CCC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MUTSYIPWZUAUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,10-11-16)9-6-12(18)17-15(13(19)20)7-4-3-5-8-15/h3-11,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid?
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65292201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).