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

C15H28N2O2 — CID 63275379

IUPAC2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
SMILESCN1CCC(CN(C)C2CCCCCC2C(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-16-9-8-12(10-16)11-17(2)14-7-5-3-4-6-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeySIIWYIAWIMPGIA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds4

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

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 63275379) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
PubChem CID63275379
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid
SMILESCN1CCC(CN(C)C2CCCCCC2C(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-16-9-8-12(10-16)11-17(2)14-7-5-3-4-6-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeySIIWYIAWIMPGIA-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63234790
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55172406
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 79318444
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122
2-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63074557
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-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382
2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 55226608
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid (CID 63275379) is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid is CN1CCC(CN(C)C2CCCCCC2C(=O)O)C1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is SIIWYIAWIMPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-9-8-12(10-16)11-17(2)14-7-5-3-4-6-13(14)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid?
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 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-3-yl)methyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63275379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).