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

C14H27N3O2 — CID 103537872

IUPAC5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CC(OC)C(OC)C1
InChIInChI=1S/C14H27N3O2/c1-5-16-14(2,11-15)7-6-8-17-9-12(18-3)13(10-17)19-4/h12-13,16H,5-10H2,1-4H3
InChIKeyFACRRBRINCFBOV-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.00
Rot. Bonds8

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

5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 103537872) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
PubChem CID103537872
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CC(OC)C(OC)C1
InChIInChI=1S/C14H27N3O2/c1-5-16-14(2,11-15)7-6-8-17-9-12(18-3)13(10-17)19-4/h12-13,16H,5-10H2,1-4H3
InChIKeyFACRRBRINCFBOV-UHFFFAOYSA-N
XLogP1.00
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-Methoxyethyl(3-methoxypropyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 61906859
2-(Ethylamino)-5-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanenitrile
CID 61906860
6-[2-Methoxyethyl(3-methoxypropyl)amino]-2-methyl-2-(methylamino)hexanenitrile
CID 61907288
5-[Bis(2-methoxyethyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 61908807
5-[Bis(2-methoxyethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 61909012
5-[Bis(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 61909013
2-Methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)pentanenitrile
CID 81061454
2-Methyl-2-(methylamino)-5-[methyl(2-propan-2-yloxyethyl)amino]pentanenitrile
CID 81061545
2-(Ethylamino)-2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]pentanenitrile
CID 81062560
2-(Ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
CID 82747979
2-Methyl-5-[methyl(oxolan-3-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 82748093
2-Methyl-5-[methyl(oxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82748190

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile (CID 103537872) is 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CCCN1CC(OC)C(OC)C1.
What is the InChIKey of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is FACRRBRINCFBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-16-14(2,11-15)7-6-8-17-9-12(18-3)13(10-17)19-4/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 269.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 103537872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).