2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid

C18H33NO2 — CID 104576051

IUPAC2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C1CCC(CNCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)15-9-7-13(8-10-15)11-19-12-14-5-4-6-16(14)17(20)21/h13-16,19H,4-12H2,1-3H3,(H,20,21)
InChIKeyZROMYNGKIKSSCE-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.93
Rot. Bonds5

About 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 104576051) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID104576051
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C1CCC(CNCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C18H33NO2/c1-18(2,3)15-9-7-13(8-10-15)11-19-12-14-5-4-6-16(14)17(20)21/h13-16,19H,4-12H2,1-3H3,(H,20,21)
InChIKeyZROMYNGKIKSSCE-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103034722
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221553
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
2-[[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 83084004
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
2-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107044975
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
trans-(1R,3R)-3-tert-butylcyclopentane-1-carboxylic acid
CID 15315966

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid (CID 104576051) is 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid is CC(C)(C)C1CCC(CNCC2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZROMYNGKIKSSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-18(2,3)15-9-7-13(8-10-15)11-19-12-14-5-4-6-16(14)17(20)21/h13-16,19H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104576051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).