ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate

C15H29NO2 — CID 54918720

IUPACethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO2/c1-6-16-15(14(17)18-7-2)10-12(5)8-9-13(15)11(3)4/h11-13,16H,6-10H2,1-5H3
InChIKeyXLQPHNDQLBZMGG-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds5

About ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate

ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 54918720) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
PubChem CID54918720
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO2/c1-6-16-15(14(17)18-7-2)10-12(5)8-9-13(15)11(3)4/h11-13,16H,6-10H2,1-5H3
InChIKeyXLQPHNDQLBZMGG-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate (CID 54918720) is ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate is CCNC1(C(=O)OCC)CC(C)CCC1C(C)C.
What is the InChIKey of ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is XLQPHNDQLBZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-16-15(14(17)18-7-2)10-12(5)8-9-13(15)11(3)4/h11-13,16H,6-10H2,1-5H3.
What are the key properties of ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 54918720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).