2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid

C15H29NO2 — CID 55056559

IUPAC2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CN(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-15(5-2,14(17)18)12-16(3)13-10-8-6-7-9-11-13/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyCDGVQOCUIBKILM-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.53
Rot. Bonds6

About 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid

2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 55056559) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID55056559
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CN(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-15(5-2,14(17)18)12-16(3)13-10-8-6-7-9-11-13/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyCDGVQOCUIBKILM-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid
CID 82743302
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
3-[cyclohexyl(methyl)amino]-2,2-dimethylpropanamide
CID 82040711
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 114287449
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
2-amino-3-[cyclopentyl(methyl)amino]-2-cyclopropylpropanamide
CID 63910103
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid (CID 55056559) is 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CN(C)C1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is CDGVQOCUIBKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-15(5-2,14(17)18)12-16(3)13-10-8-6-7-9-11-13/h13H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid?
2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 55056559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).