methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate

C16H30N2O2 — CID 79655704

IUPACmethyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(N(C)C(C)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-5-10-17-16(15(19)20-4)9-8-14(11-16)18(3)12(2)13-6-7-13/h12-14,17H,5-11H2,1-4H3
InChIKeyLHVWUPQSHVAAQC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds7

About methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate

methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 79655704) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID79655704
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(N(C)C(C)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-5-10-17-16(15(19)20-4)9-8-14(11-16)18(3)12(2)13-6-7-13/h12-14,17H,5-11H2,1-4H3
InChIKeyLHVWUPQSHVAAQC-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79647415
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 81062579
ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate
CID 79645866
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
3-[1-cyclopropylethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79655631
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649126
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate (CID 79655704) is methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OC)CCC(N(C)C(C)C2CC2)C1.
What is the InChIKey of methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is LHVWUPQSHVAAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-10-17-16(15(19)20-4)9-8-14(11-16)18(3)12(2)13-6-7-13/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79655704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).