tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate

C14H27NO2 — CID 63243388

IUPACtert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
SMILESCC1CCC(CNCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11-5-7-12(8-6-11)9-15-10-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyXTCXRVKAGJLYQI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate

tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate (PubChem CID 63243388) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
PubChem CID63243388
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
SMILESCC1CCC(CNCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11-5-7-12(8-6-11)9-15-10-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyXTCXRVKAGJLYQI-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(azetidin-3-ylmethylamino)acetate
CID 54262655
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide
CID 112688557
tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
CID 103268828
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate (CID 63243388) is tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate is CC1CCC(CNCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate?
The InChIKey is XTCXRVKAGJLYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-5-7-12(8-6-11)9-15-10-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate?
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate is sourced from PubChem (CID 63243388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).