ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate

C16H30N2O2 — CID 104879694

IUPACethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCC(C)N(C)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-20-16(19)13-6-5-7-14(10-13)17-11-12(2)18(3)15-8-9-15/h12-15,17H,4-11H2,1-3H3
InChIKeyIHJLYXOYOSILHL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds7

About ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate

ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate (PubChem CID 104879694) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate
PubChem CID104879694
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCC(C)N(C)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-20-16(19)13-6-5-7-14(10-13)17-11-12(2)18(3)15-8-9-15/h12-15,17H,4-11H2,1-3H3
InChIKeyIHJLYXOYOSILHL-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate (CID 104879694) is ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(NCC(C)N(C)C2CC2)C1.
What is the InChIKey of ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate?
The InChIKey is IHJLYXOYOSILHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-16(19)13-6-5-7-14(10-13)17-11-12(2)18(3)15-8-9-15/h12-15,17H,4-11H2,1-3H3.
What are the key properties of ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate?
ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 104879694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).