4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid

C15H28N2O2 — CID 55172406

IUPAC4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-11-4-5-13(15(18)19)14(8-11)17(3)10-12-6-7-16(2)9-12/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyLUZLGUZLJMFWIL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.76
Rot. Bonds4

About 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid

4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 55172406) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
PubChem CID55172406
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-11-4-5-13(15(18)19)14(8-11)17(3)10-12-6-7-16(2)9-12/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyLUZLGUZLJMFWIL-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63275379
4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile
CID 63276046
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63234790
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122
2-[butyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068922
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-4-propylcyclohexane-1-carboxylic acid
CID 79311839
2-[(4-chlorophenyl)methyl-methylamino]-4-methylcyclohexane-1-carboxylic acid
CID 63072994
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63073876

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid (CID 55172406) is 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(N(C)CC2CCN(C)C2)C1.
What is the InChIKey of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LUZLGUZLJMFWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-4-5-13(15(18)19)14(8-11)17(3)10-12-6-7-16(2)9-12/h11-14H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid?
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55172406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).