2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 103565195

IUPAC2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C1CC(NCC2CCCCC2C(=O)O)C1
InChIInChI=1S/C15H27NO2/c1-10(2)12-7-13(8-12)16-9-11-5-3-4-6-14(11)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyUIFGQNPFXBZXBS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.90
Rot. Bonds5

About 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid

2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 103565195) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID103565195
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C1CC(NCC2CCCCC2C(=O)O)C1
InChIInChI=1S/C15H27NO2/c1-10(2)12-7-13(8-12)16-9-11-5-3-4-6-14(11)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyUIFGQNPFXBZXBS-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561813
2-[[(3-methoxycyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106824408
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 106824409
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448430
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111
2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221350
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 103565195) is 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid is CC(C)C1CC(NCC2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is UIFGQNPFXBZXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)12-7-13(8-12)16-9-11-5-3-4-6-14(11)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103565195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).