2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid

C12H23NO2 — CID 106487425

IUPAC2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
SMILESCCC(CN)(CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-2-12(9-13,11(14)15)8-10-6-4-3-5-7-10/h10H,2-9,13H2,1H3,(H,14,15)
InChIKeyHMVDZLLHVDJOKD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.40
Rot. Bonds5

About 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid

2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid (PubChem CID 106487425) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
PubChem CID106487425
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
SMILESCCC(CN)(CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-2-12(9-13,11(14)15)8-10-6-4-3-5-7-10/h10H,2-9,13H2,1H3,(H,14,15)
InChIKeyHMVDZLLHVDJOKD-UHFFFAOYSA-N
XLogP2.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
2-(cyclobutylmethyl)-2-ethylhexanoic acid
CID 79425365
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
CID 115432159
2-(cyclopentylmethyl)-2-methylbutanoic acid
CID 62740428
2-(aminomethyl)-2-benzyl-3-cyclopropylpropanoic acid
CID 106490095
2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid
CID 106490159
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
CID 113322317
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid (CID 106487425) is 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid is CCC(CN)(CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid?
The InChIKey is HMVDZLLHVDJOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-12(9-13,11(14)15)8-10-6-4-3-5-7-10/h10H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid?
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid is sourced from PubChem (CID 106487425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).