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

C14H26N2O2 — CID 79318444

IUPAC2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CCCC1CN(C)C1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O2/c1-15-9-5-6-11(15)10-16(2)13-8-4-3-7-12(13)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyWUUXNXJZYOBNQX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.66
Rot. Bonds4

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

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 79318444) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
PubChem CID79318444
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CCCC1CN(C)C1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O2/c1-15-9-5-6-11(15)10-16(2)13-8-4-3-7-12(13)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyWUUXNXJZYOBNQX-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-4-propylcyclohexane-1-carboxylic acid
CID 79311839
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63234790
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63275379
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
2,2-dimethyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentan-1-ol
CID 79857164
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol
CID 79315635
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
CID 79313317
2-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63074557

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid (CID 79318444) is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid is CN1CCCC1CN(C)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WUUXNXJZYOBNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-9-5-6-11(15)10-16(2)13-8-4-3-7-12(13)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid?
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79318444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).