cyclohexyl 4-methyl-2-(methylamino)pentanoate

C13H25NO2 — CID 143660468

IUPACcyclohexyl 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-12(14-3)13(15)16-11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyZIGYJBWPCVQPFJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About cyclohexyl 4-methyl-2-(methylamino)pentanoate

cyclohexyl 4-methyl-2-(methylamino)pentanoate (PubChem CID 143660468) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is cyclohexyl 4-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namecyclohexyl 4-methyl-2-(methylamino)pentanoate
PubChem CID143660468
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namecyclohexyl 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-12(14-3)13(15)16-11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyZIGYJBWPCVQPFJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
CID 87223141
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride
CID 89497653
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456
cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
CID 90908653
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
CID 163408455
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-methyl-2-(methylamino)pentanoate?
The IUPAC name of cyclohexyl 4-methyl-2-(methylamino)pentanoate (CID 143660468) is cyclohexyl 4-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for cyclohexyl 4-methyl-2-(methylamino)pentanoate?
The canonical SMILES for cyclohexyl 4-methyl-2-(methylamino)pentanoate is CNC(CC(C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-methyl-2-(methylamino)pentanoate?
The InChIKey is ZIGYJBWPCVQPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)9-12(14-3)13(15)16-11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of cyclohexyl 4-methyl-2-(methylamino)pentanoate?
cyclohexyl 4-methyl-2-(methylamino)pentanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 143660468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).