2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid

C13H25NO2 — CID 63067749

IUPAC2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)CN(C)C1CCCCC1C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-10(2)9-14(3)12-8-6-5-7-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyQNCPHCQKQHFEDA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

About 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid

2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63067749) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63067749
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)CN(C)C1CCCCC1C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-10(2)9-14(3)12-8-6-5-7-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyQNCPHCQKQHFEDA-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917
2-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63074557
2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996818
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 83817695
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
CID 55146706
2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid (CID 63067749) is 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid is CCC(C)CN(C)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QNCPHCQKQHFEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-10(2)9-14(3)12-8-6-5-7-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid?
2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63067749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).