4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid

C14H26N2O2 — CID 115149122

IUPAC4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(CN(C)C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-15-8-7-11(9-15)10-16(2)13-5-3-12(4-6-13)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyLPBHOHPNTPDIND-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.51
Rot. Bonds4

About 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid

4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 115149122) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
PubChem CID115149122
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(CN(C)C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H26N2O2/c1-15-8-7-11(9-15)10-16(2)13-5-3-12(4-6-13)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyLPBHOHPNTPDIND-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55172406
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63275379
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid (CID 115149122) is 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid is CN1CCC(CN(C)C2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LPBHOHPNTPDIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-8-7-11(9-15)10-16(2)13-5-3-12(4-6-13)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115149122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).