methyl 1-(methylamino)cyclohexane-1-carboxylate

C9H17NO2 — CID 21303779

IUPACmethyl 1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCCC1
InChIInChI=1S/C9H17NO2/c1-10-9(8(11)12-2)6-4-3-5-7-9/h10H,3-7H2,1-2H3
InChIKeyVVFFJVYBIIFJOA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds2

About methyl 1-(methylamino)cyclohexane-1-carboxylate

methyl 1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 21303779) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)cyclohexane-1-carboxylate
PubChem CID21303779
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCCC1
InChIInChI=1S/C9H17NO2/c1-10-9(8(11)12-2)6-4-3-5-7-9/h10H,3-7H2,1-2H3
InChIKeyVVFFJVYBIIFJOA-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)cyclohexane-1-carboxylate (CID 21303779) is methyl 1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCCC1.
What is the InChIKey of methyl 1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is VVFFJVYBIIFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-9(8(11)12-2)6-4-3-5-7-9/h10H,3-7H2,1-2H3.
What are the key properties of methyl 1-(methylamino)cyclohexane-1-carboxylate?
methyl 1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 21303779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).