4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid

C11H21NO2 — CID 115149052

IUPAC4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-8-12(2)10-6-4-9(5-7-10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyBIKMKWSSUQZMKQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid

4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115149052) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115149052
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-8-12(2)10-6-4-9(5-7-10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyBIKMKWSSUQZMKQ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride
CID 3064886
4-(Dimethylamino)cyclohexane-1-carboxylic acid hydrochloride
CID 68452337
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
3-(1-Methyl-3-piperidinyl)propanoic acid hydrochloride
CID 75530780
cis-4-[Di-(2-chloroethyl)amino] cyclohexylcarboxylic acid
CID 431800
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
3-[(3R,4S)-4-(dimethylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 164637806
trans-4-(Dimethylamino)cyclohexanecarboxylic acid
CID 14876726
trans-4-(1-Pyrrolidinyl)cyclohexanecarboxylate hydrochloride
CID 68450221
4-(3,3-Difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 121200815
Ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate
CID 146451196
4-(Dimethylamino)-3-fluorocyclohexane-1-carboxylic acid
CID 146451362

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid (CID 115149052) is 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid is CCCN(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BIKMKWSSUQZMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-8-12(2)10-6-4-9(5-7-10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid?
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115149052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).