ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate

C14H27NO2 — CID 64754127

IUPACethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CC(C)CCC1C
InChIInChI=1S/C14H27NO2/c1-5-9-15-14(13(16)17-6-2)10-11(3)7-8-12(14)4/h11-12,15H,5-10H2,1-4H3
InChIKeyQCPXYVQQUUDIHN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds5

About ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate

ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate (PubChem CID 64754127) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
PubChem CID64754127
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CC(C)CCC1C
InChIInChI=1S/C14H27NO2/c1-5-9-15-14(13(16)17-6-2)10-11(3)7-8-12(14)4/h11-12,15H,5-10H2,1-4H3
InChIKeyQCPXYVQQUUDIHN-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
ethyl 2,4-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64754128
ethyl 2,4,4-trimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 81320996
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64756183
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111
ethyl 1-(2-chloroanilino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64754954
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
ethyl 1-(3-azidopropylamino)-2-methylcyclopentane-1-carboxylate
CID 66188553
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 2-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 105401874

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate (CID 64754127) is ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate is CCCNC1(C(=O)OCC)CC(C)CCC1C.
What is the InChIKey of ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
The InChIKey is QCPXYVQQUUDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-9-15-14(13(16)17-6-2)10-11(3)7-8-12(14)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 64754127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).