methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate

C15H29NO3 — CID 102984407

IUPACmethyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
SMILESCCCC(C)OCCC1CCCC1(NC)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-5-7-12(2)19-11-9-13-8-6-10-15(13,16-3)14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyKOWHRIVRTNMYHY-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds8

About methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate

methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate (PubChem CID 102984407) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
PubChem CID102984407
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
SMILESCCCC(C)OCCC1CCCC1(NC)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-5-7-12(2)19-11-9-13-8-6-10-15(13,16-3)14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyKOWHRIVRTNMYHY-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
CID 103284971
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
[1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentyl]methanol
CID 102988215
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
methyl 2-[2-[ethyl(propyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79564361
methyl 1-(methylamino)-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79563584
2-[2-(1-methoxypropan-2-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79587363
ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
CID 79588199
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481
methyl 2-[2-(3-methoxy-3-methylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 106666862
methyl 1-(methylamino)-2-[2-(oxolan-3-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79571672
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate (CID 102984407) is methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate is CCCC(C)OCCC1CCCC1(NC)C(=O)OC.
What is the InChIKey of methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate?
The InChIKey is KOWHRIVRTNMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-7-12(2)19-11-9-13-8-6-10-15(13,16-3)14(17)18-4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate?
methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102984407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).