2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile

C15H29N3O — CID 106804074

IUPAC2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN1CCC(OC)C1
InChIInChI=1S/C15H29N3O/c1-4-9-17-15(5-2,13-16)8-6-10-18-11-7-14(12-18)19-3/h14,17H,4-12H2,1-3H3
InChIKeyYTGWQJZBFPFLCE-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds9

About 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile

2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile (PubChem CID 106804074) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
PubChem CID106804074
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN1CCC(OC)C1
InChIInChI=1S/C15H29N3O/c1-4-9-17-15(5-2,13-16)8-6-10-18-11-7-14(12-18)19-3/h14,17H,4-12H2,1-3H3
InChIKeyYTGWQJZBFPFLCE-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile 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

5-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106804079
2-ethyl-5-[4-(methoxymethyl)piperidin-1-yl]-2-(propylamino)pentanenitrile
CID 106803718
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
2-ethyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 106803549
2-ethyl-5-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)pentanenitrile
CID 106804039
2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
CID 106804088
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
CID 103537820
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 106806557
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803139
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile (CID 106804074) is 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCN1CCC(OC)C1.
What is the InChIKey of 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile?
The InChIKey is YTGWQJZBFPFLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-9-17-15(5-2,13-16)8-6-10-18-11-7-14(12-18)19-3/h14,17H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile?
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106804074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).