1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid

C14H25NO2 — CID 115000464

IUPAC1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC2CC2(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-4-10-5-7-14(8-6-10,12(16)17)15-11-9-13(11,2)3/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyRAMFLHOLCOLNHE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.80
Rot. Bonds4

About 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid

1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 115000464) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID115000464
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC2CC2(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-4-10-5-7-14(8-6-10,12(16)17)15-11-9-13(11,2)3/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyRAMFLHOLCOLNHE-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
4-ethyl-1-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63122559
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82758308
4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 60992420
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid (CID 115000464) is 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC2CC2(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is RAMFLHOLCOLNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-10-5-7-14(8-6-10,12(16)17)15-11-9-13(11,2)3/h10-11,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopropyl)amino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115000464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).