4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 103565225

IUPAC4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C1CC(NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)13-7-14(8-13)16-9-11-3-5-12(6-4-11)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyYJNMUPOQWHXAPE-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.90
Rot. Bonds5

About 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 103565225) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID103565225
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C1CC(NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)13-7-14(8-13)16-9-11-3-5-12(6-4-11)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyYJNMUPOQWHXAPE-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-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565195
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 103578521
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83996752
4-[(2-propan-2-yloxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532230
4-[(thiolan-3-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532658
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532324
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104964096

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 103565225) is 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid is CC(C)C1CC(NCC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YJNMUPOQWHXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)13-7-14(8-13)16-9-11-3-5-12(6-4-11)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(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 4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103565225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).