1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 62271036

IUPAC1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CN(CC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C15H27NO2/c1-12(2)10-16(13-6-7-13)11-15(14(17)18)8-4-3-5-9-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyFYTSBNBXBWLAPG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds6

About 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62271036) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID62271036
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CN(CC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C15H27NO2/c1-12(2)10-16(13-6-7-13)11-15(14(17)18)8-4-3-5-9-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyFYTSBNBXBWLAPG-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62266509
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270493
4-[[cyclopentyl(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498797
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276800
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434207
N-[[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62260942
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115448961
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 62271036) is 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid is CC(C)CN(CC1(C(=O)O)CCCCC1)C1CC1.
What is the InChIKey of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FYTSBNBXBWLAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)10-16(13-6-7-13)11-15(14(17)18)8-4-3-5-9-15/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62271036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).