methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate

C13H23NO2 — CID 104628481

IUPACmethyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(NC(C)C2CC2)C1
InChIInChI=1S/C13H23NO2/c1-9(10-6-7-10)14-12-5-3-4-11(8-12)13(15)16-2/h9-12,14H,3-8H2,1-2H3
InChIKeyIJCXLHQRAWLCSX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds4

About methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate

methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate (PubChem CID 104628481) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate
PubChem CID104628481
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCC(NC(C)C2CC2)C1
InChIInChI=1S/C13H23NO2/c1-9(10-6-7-10)14-12-5-3-4-11(8-12)13(15)16-2/h9-12,14H,3-8H2,1-2H3
InChIKeyIJCXLHQRAWLCSX-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
CID 113351735
1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
CID 79458363
methyl 3-[1-(1H-imidazol-2-yl)ethylamino]cyclohexane-1-carboxylate
CID 112753627
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 3-(2-amino-1-sulfanylethyl)cyclohexane-1-carboxylate
CID 58761583
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
cis-methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 58952956
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate (CID 104628481) is methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate is COC(=O)C1CCCC(NC(C)C2CC2)C1.
What is the InChIKey of methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate?
The InChIKey is IJCXLHQRAWLCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(10-6-7-10)14-12-5-3-4-11(8-12)13(15)16-2/h9-12,14H,3-8H2,1-2H3.
What are the key properties of methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate?
methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-cyclopropylethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 104628481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).