methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate

C14H27NO2 — CID 102671236

IUPACmethyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCC1CCCC(C)C1
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-12(8-11)9-15-10-14(2,3)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyDNWINSDDQOWLMU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds5

About methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate

methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate (PubChem CID 102671236) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
PubChem CID102671236
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCC1CCCC(C)C1
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-12(8-11)9-15-10-14(2,3)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyDNWINSDDQOWLMU-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol
CID 113345559
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
CID 79623458
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787
methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate
CID 114197281
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881231
N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235209
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
[(1S)-3-methylcyclohexyl]methanol
CID 89207619

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate (CID 102671236) is methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate is COC(=O)C(C)(C)CNCC1CCCC(C)C1.
What is the InChIKey of methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate?
The InChIKey is DNWINSDDQOWLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-6-5-7-12(8-11)9-15-10-14(2,3)13(16)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate?
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate has a molecular weight of 241.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate is sourced from PubChem (CID 102671236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).