4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile

C15H30N4 — CID 63165673

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
SMILESCCN(CC)C1CCN(CCC(C#N)NC(C)C)C1
InChIInChI=1S/C15H30N4/c1-5-19(6-2)15-8-10-18(12-15)9-7-14(11-16)17-13(3)4/h13-15,17H,5-10,12H2,1-4H3
InChIKeyRIJYZNHDAPIZAY-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.68
Rot. Bonds8

About 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile

4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile (PubChem CID 63165673) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
PubChem CID63165673
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
SMILESCCN(CC)C1CCN(CCC(C#N)NC(C)C)C1
InChIInChI=1S/C15H30N4/c1-5-19(6-2)15-8-10-18(12-15)9-7-14(11-16)17-13(3)4/h13-15,17H,5-10,12H2,1-4H3
InChIKeyRIJYZNHDAPIZAY-UHFFFAOYSA-N
XLogP1.68
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile (CID 63165673) is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile is CCN(CC)C1CCN(CCC(C#N)NC(C)C)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile?
The InChIKey is RIJYZNHDAPIZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-19(6-2)15-8-10-18(12-15)9-7-14(11-16)17-13(3)4/h13-15,17H,5-10,12H2,1-4H3.
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile?
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63165673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).