methyl 2-amino-2-methylcyclohexane-1-carboxylate

C9H17NO2 — CID 71757317

IUPACmethyl 2-amino-2-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1(C)N
InChIInChI=1S/C9H17NO2/c1-9(10)6-4-3-5-7(9)8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKeyZDEKKLLOCHUNDD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds1

About methyl 2-amino-2-methylcyclohexane-1-carboxylate

methyl 2-amino-2-methylcyclohexane-1-carboxylate (PubChem CID 71757317) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-amino-2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-2-methylcyclohexane-1-carboxylate
PubChem CID71757317
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-amino-2-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1(C)N
InChIInChI=1S/C9H17NO2/c1-9(10)6-4-3-5-7(9)8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKeyZDEKKLLOCHUNDD-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 2-amino-2-methylcyclohexane-1-carboxylate (CID 71757317) is methyl 2-amino-2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-amino-2-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-amino-2-methylcyclohexane-1-carboxylate is COC(=O)C1CCCCC1(C)N.
What is the InChIKey of methyl 2-amino-2-methylcyclohexane-1-carboxylate?
The InChIKey is ZDEKKLLOCHUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(10)6-4-3-5-7(9)8(11)12-2/h7H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-amino-2-methylcyclohexane-1-carboxylate?
methyl 2-amino-2-methylcyclohexane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 71757317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).