methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate

C13H26N2O2 — CID 54895132

IUPACmethyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-11-6-5-7-13(10-11,12(16)17-4)14-8-9-15(2)3/h11,14H,5-10H2,1-4H3
InChIKeyDVGUDQYGANTTMI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate

methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate (PubChem CID 54895132) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
PubChem CID54895132
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-11-6-5-7-13(10-11,12(16)17-4)14-8-9-15(2)3/h11,14H,5-10H2,1-4H3
InChIKeyDVGUDQYGANTTMI-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(dimethylamino)ethylamino]-4-methylcycloheptane-1-carboxylate
CID 65085158
methyl 1-[2-(dimethylamino)ethylamino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 61002750
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
ethyl 1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64759457
1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64759455
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659
methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
CID 62976966
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449317
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate (CID 54895132) is methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate is COC(=O)C1(NCCN(C)C)CCCC(C)C1.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate?
The InChIKey is DVGUDQYGANTTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-6-5-7-13(10-11,12(16)17-4)14-8-9-15(2)3/h11,14H,5-10H2,1-4H3.
What are the key properties of methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate?
methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 54895132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).