2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile

C15H27N3O2 — CID 103537857

IUPAC2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile
SMILESCOC1CN(CCCC(C)(C#N)NC2CC2)CC1OC
InChIInChI=1S/C15H27N3O2/c1-15(11-16,17-12-5-6-12)7-4-8-18-9-13(19-2)14(10-18)20-3/h12-14,17H,4-10H2,1-3H3
InChIKeyIEDFDPSEPLILBO-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.15
Rot. Bonds8

About 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile

2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile (PubChem CID 103537857) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile
PubChem CID103537857
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile
SMILESCOC1CN(CCCC(C)(C#N)NC2CC2)CC1OC
InChIInChI=1S/C15H27N3O2/c1-15(11-16,17-12-5-6-12)7-4-8-18-9-13(19-2)14(10-18)20-3/h12-14,17H,4-10H2,1-3H3
InChIKeyIEDFDPSEPLILBO-UHFFFAOYSA-N
XLogP1.15
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 103537872
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
CID 103537820
2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 106588537
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958
5-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106804079
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-(cyclopropylamino)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpentanenitrile
CID 63026125
2-(cyclopropylamino)-2-methyl-4-(4-methylsulfonylpiperazin-1-yl)butanenitrile
CID 62992780
2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile
CID 63634879
2-(cyclopropylamino)-4-(3-methoxypropylsulfanyl)-2-methylbutanenitrile
CID 63856336
2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
CID 62332365

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile (CID 103537857) is 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile is COC1CN(CCCC(C)(C#N)NC2CC2)CC1OC.
What is the InChIKey of 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile?
The InChIKey is IEDFDPSEPLILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(11-16,17-12-5-6-12)7-4-8-18-9-13(19-2)14(10-18)20-3/h12-14,17H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile?
2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile has a molecular weight of 281.40 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile is sourced from PubChem (CID 103537857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).