ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate

C16H32N2O3 — CID 103538059

IUPACethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
SMILESCCNC(C)(CCCCN1CCC(OC)C1)C(=O)OCC
InChIInChI=1S/C16H32N2O3/c1-5-17-16(3,15(19)21-6-2)10-7-8-11-18-12-9-14(13-18)20-4/h14,17H,5-13H2,1-4H3
InChIKeyYFTSYWDKCPDLPN-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.81
Rot. Bonds10

About ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate

ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate (PubChem CID 103538059) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
PubChem CID103538059
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
SMILESCCNC(C)(CCCCN1CCC(OC)C1)C(=O)OCC
InChIInChI=1S/C16H32N2O3/c1-5-17-16(3,15(19)21-6-2)10-7-8-11-18-12-9-14(13-18)20-4/h14,17H,5-13H2,1-4H3
InChIKeyYFTSYWDKCPDLPN-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
CID 63165725
ethyl 6-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylhexanoate
CID 79177873
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 106806557
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103538027
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 103538248

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate?
The IUPAC name of ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate (CID 103538059) is ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate?
The canonical SMILES for ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate is CCNC(C)(CCCCN1CCC(OC)C1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate?
The InChIKey is YFTSYWDKCPDLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-17-16(3,15(19)21-6-2)10-7-8-11-18-12-9-14(13-18)20-4/h14,17H,5-13H2,1-4H3.
What are the key properties of ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate?
ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate has a molecular weight of 300.44 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate is sourced from PubChem (CID 103538059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).