2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid

C15H29NO2 — CID 122128807

IUPAC2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
SMILESCCC(CC)(CNCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-15(5-2,14(17)18)11-16-10-13-8-6-12(3)7-9-13/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyKAOXMTZDXSAAEM-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.29
Rot. Bonds7

About 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid

2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid (PubChem CID 122128807) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
PubChem CID122128807
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
SMILESCCC(CC)(CNCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-15(5-2,14(17)18)11-16-10-13-8-6-12(3)7-9-13/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyKAOXMTZDXSAAEM-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623531
2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
CID 122128239
2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 43529702
2,2-dimethyl-3-[(4-methylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 82820923
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
2-ethyl-2-[[(3-methylcyclohexyl)amino]methyl]butanoic acid
CID 122128820
2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
CID 122128335
2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid
CID 122128509

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid (CID 122128807) is 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid is CCC(CC)(CNCC1CCC(C)CC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid?
The InChIKey is KAOXMTZDXSAAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-15(5-2,14(17)18)11-16-10-13-8-6-12(3)7-9-13/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid?
2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid is sourced from PubChem (CID 122128807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).