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

C15H28N2O2 — CID 79313273

IUPAC1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCN1C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-16(11-13-7-6-10-17(13)2)12-15(14(18)19)8-4-3-5-9-15/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeyAWORRHSMJMTIKV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds5

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

1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79313273) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79313273
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCN1C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-16(11-13-7-6-10-17(13)2)12-15(14(18)19)8-4-3-5-9-15/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeyAWORRHSMJMTIKV-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexyl]methanol
CID 79312845
[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol
CID 79312693
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79319455
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63711312
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63211004
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79314654
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79313273) is 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid is CN(CC1CCCN1C)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AWORRHSMJMTIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16(11-13-7-6-10-17(13)2)12-15(14(18)19)8-4-3-5-9-15/h13H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79313273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).