methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate

C16H30N2O3 — CID 79646396

IUPACmethyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
SMILESCCN(C(C)COC)C1CCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-5-18(12(2)11-20-3)14-8-9-16(10-14,15(19)21-4)17-13-6-7-13/h12-14,17H,5-11H2,1-4H3
InChIKeyKRAPMZWVQCIBQG-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds8

About methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate (PubChem CID 79646396) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
PubChem CID79646396
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
SMILESCCN(C(C)COC)C1CCC(NC2CC2)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-5-18(12(2)11-20-3)14-8-9-16(10-14,15(19)21-4)17-13-6-7-13/h12-14,17H,5-11H2,1-4H3
InChIKeyKRAPMZWVQCIBQG-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655576
methyl 1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636681
methyl 1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclohexane-1-carboxylate
CID 79626176
methyl 1-(cyclopropylamino)-3-[cyclopropylmethyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79647441
3-[butan-2-yl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79655033
methyl 1-(cyclopropylamino)-3-(dipropylamino)cyclopentane-1-carboxylate
CID 79650666
1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclopentane-1-carboxamide
CID 79655102
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79626494
ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655068
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxamide
CID 79647416
1-(cyclopropylamino)-3-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79655109
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 81062382

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate (CID 79646396) is methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate is CCN(C(C)COC)C1CCC(NC2CC2)(C(=O)OC)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is KRAPMZWVQCIBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-18(12(2)11-20-3)14-8-9-16(10-14,15(19)21-4)17-13-6-7-13/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79646396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).