ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate

C13H25NO2 — CID 60796516

IUPACethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-4-10-14-13(12(15)16-5-2)8-6-11(3)7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyCEAMJISXNBQXJV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate

ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate (PubChem CID 60796516) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
PubChem CID60796516
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-4-10-14-13(12(15)16-5-2)8-6-11(3)7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyCEAMJISXNBQXJV-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
ethyl 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64755728
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111
ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
CID 64516424
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 2,4-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64754128
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 3-(oxan-4-ylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646481
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate (CID 60796516) is ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate is CCCNC1(C(=O)OCC)CCC(C)CC1.
What is the InChIKey of ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate?
The InChIKey is CEAMJISXNBQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-10-14-13(12(15)16-5-2)8-6-11(3)7-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate?
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 60796516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).