2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid

C14H25NO3 — CID 64756379

IUPAC2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NCC2CCCO2)(C(=O)O)C(C)C1
InChIInChI=1S/C14H25NO3/c1-10-5-6-14(13(16)17,11(2)8-10)15-9-12-4-3-7-18-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyBTMCVKQWPYIHNY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.03
Rot. Bonds4

About 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid

2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid (PubChem CID 64756379) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
PubChem CID64756379
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NCC2CCCO2)(C(=O)O)C(C)C1
InChIInChI=1S/C14H25NO3/c1-10-5-6-14(13(16)17,11(2)8-10)15-9-12-4-3-7-18-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyBTMCVKQWPYIHNY-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 65085366
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide
CID 61005628
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
CID 55141024
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
2-methyl-1-(oxolan-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 131165500
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
4-methyl-1-[[[2-(oxan-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115440948

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid (CID 64756379) is 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid is CC1CCC(NCC2CCCO2)(C(=O)O)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is BTMCVKQWPYIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-5-6-14(13(16)17,11(2)8-10)15-9-12-4-3-7-18-12/h10-12,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid?
2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64756379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).