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

C17H30N2O2 — CID 79645866

IUPACethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(N(C)C(C)C2CC2)C1
InChIInChI=1S/C17H30N2O2/c1-4-21-16(20)17(18-14-7-8-14)10-9-15(11-17)19(3)12(2)13-5-6-13/h12-15,18H,4-11H2,1-3H3
InChIKeyPTWRFMHVTKTSHY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.32
Rot. Bonds7

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

ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate (PubChem CID 79645866) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate
PubChem CID79645866
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(N(C)C(C)C2CC2)C1
InChIInChI=1S/C17H30N2O2/c1-4-21-16(20)17(18-14-7-8-14)10-9-15(11-17)19(3)12(2)13-5-6-13/h12-15,18H,4-11H2,1-3H3
InChIKeyPTWRFMHVTKTSHY-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(cyclopropylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636428
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79655704
ethyl 1-(methylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655405
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
3-[1-cyclopropylethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79655631
ethyl 1-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)cyclopentane-1-carboxylate
CID 103489908
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
CID 79626176
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate (CID 79645866) is ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate is CCOC(=O)C1(NC2CC2)CCC(N(C)C(C)C2CC2)C1.
What is the InChIKey of ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate?
The InChIKey is PTWRFMHVTKTSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-21-16(20)17(18-14-7-8-14)10-9-15(11-17)19(3)12(2)13-5-6-13/h12-15,18H,4-11H2,1-3H3.
What are the key properties of ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate?
ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79645866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).