methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate

C14H26N2O2 — CID 79636606

IUPACmethyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCN(C1CC1)C1CCCC(NC)(C(=O)OC)C1
InChIInChI=1S/C14H26N2O2/c1-4-16(11-7-8-11)12-6-5-9-14(10-12,15-2)13(17)18-3/h11-12,15H,4-10H2,1-3H3
InChIKeyGDCMEXXRBXWNCB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.54
Rot. Bonds5

About methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate

methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79636606) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79636606
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCN(C1CC1)C1CCCC(NC)(C(=O)OC)C1
InChIInChI=1S/C14H26N2O2/c1-4-16(11-7-8-11)12-6-5-9-14(10-12,15-2)13(17)18-3/h11-12,15H,4-10H2,1-3H3
InChIKeyGDCMEXXRBXWNCB-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (CID 79636606) is methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate is CCN(C1CC1)C1CCCC(NC)(C(=O)OC)C1.
What is the InChIKey of methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is GDCMEXXRBXWNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-16(11-7-8-11)12-6-5-9-14(10-12,15-2)13(17)18-3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).