methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate

C13H25NO3 — CID 79648618

IUPACmethyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCCCOC1CCC(NCC)(C(=O)OC)C1
InChIInChI=1S/C13H25NO3/c1-4-6-9-17-11-7-8-13(10-11,14-5-2)12(15)16-3/h11,14H,4-10H2,1-3H3
InChIKeyOHWIUGIMBOGMHS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds7

About methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate

methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79648618) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79648618
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCCCOC1CCC(NCC)(C(=O)OC)C1
InChIInChI=1S/C13H25NO3/c1-4-6-9-17-11-7-8-13(10-11,14-5-2)12(15)16-3/h11,14H,4-10H2,1-3H3
InChIKeyOHWIUGIMBOGMHS-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate
CID 79646979
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
methyl 1-(cyclopropylamino)-3-pentoxycyclohexane-1-carboxylate
CID 79637497
ethyl 1-(ethylamino)-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxylate
CID 82958552
3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653496
1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611

Frequently Asked Questions

What is the IUPAC name of methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate (CID 79648618) is methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate is CCCCOC1CCC(NCC)(C(=O)OC)C1.
What is the InChIKey of methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is OHWIUGIMBOGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-9-17-11-7-8-13(10-11,14-5-2)12(15)16-3/h11,14H,4-10H2,1-3H3.
What are the key properties of methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate?
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).