tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate

C15H29NO2 — CID 115884818

IUPACtert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate
SMILESCC1CCCCC1N(C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-12-8-6-7-9-13(12)16(5)11-10-14(17)18-15(2,3)4/h12-13H,6-11H2,1-5H3
InChIKeyGPXSPIOPLGURLY-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds4

About tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate

tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate (PubChem CID 115884818) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate
PubChem CID115884818
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate
SMILESCC1CCCCC1N(C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-12-8-6-7-9-13(12)16(5)11-10-14(17)18-15(2,3)4/h12-13H,6-11H2,1-5H3
InChIKeyGPXSPIOPLGURLY-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
CID 66452296
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63483558
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788
tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
CID 115609763
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
tert-butyl 2-[[(1S,2S)-2-[[(1S,2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 54539679
ditert-butyl pentanedioate
CID 3016405
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
ethyl 4-[methyl-(2-methylcyclohexyl)amino]-3-oxobutanoate
CID 63898118
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate (CID 115884818) is tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate is CC1CCCCC1N(C)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate?
The InChIKey is GPXSPIOPLGURLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-8-6-7-9-13(12)16(5)11-10-14(17)18-15(2,3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate?
tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate is sourced from PubChem (CID 115884818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).