2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile

C15H27N3O — CID 103537820

IUPAC2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
SMILESCOC1CCN(CCCCC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C15H27N3O/c1-15(12-16,17-13-5-6-13)8-3-4-9-18-10-7-14(11-18)19-2/h13-14,17H,3-11H2,1-2H3
InChIKeyFEVVFMZVTYUABX-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.91
Rot. Bonds8

About 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile

2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile (PubChem CID 103537820) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
PubChem CID103537820
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile
SMILESCOC1CCN(CCCCC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C15H27N3O/c1-15(12-16,17-13-5-6-13)8-3-4-9-18-10-7-14(11-18)19-2/h13-14,17H,3-11H2,1-2H3
InChIKeyFEVVFMZVTYUABX-UHFFFAOYSA-N
XLogP1.91
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-5-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpentanenitrile
CID 103537857
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 106588537
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784
2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
CID 62332365
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
CID 106804074
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile?
The IUPAC name of 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile (CID 103537820) is 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile is COC1CCN(CCCCC(C)(C#N)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile?
The InChIKey is FEVVFMZVTYUABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(12-16,17-13-5-6-13)8-3-4-9-18-10-7-14(11-18)19-2/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile?
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanenitrile is sourced from PubChem (CID 103537820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).