2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile

C14H26N4 — CID 63906026

IUPAC2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile
SMILESCCN(CC)C1CCN(CC(N)(C#N)C2CC2)C1
InChIInChI=1S/C14H26N4/c1-3-18(4-2)13-7-8-17(9-13)11-14(16,10-15)12-5-6-12/h12-13H,3-9,11,16H2,1-2H3
InChIKeyDCHBCVFQAAGARF-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.03
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile

2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile (PubChem CID 63906026) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile
PubChem CID63906026
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile
SMILESCCN(CC)C1CCN(CC(N)(C#N)C2CC2)C1
InChIInChI=1S/C14H26N4/c1-3-18(4-2)13-7-8-17(9-13)11-14(16,10-15)12-5-6-12/h12-13H,3-9,11,16H2,1-2H3
InChIKeyDCHBCVFQAAGARF-UHFFFAOYSA-N
XLogP1.03
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile (CID 63906026) is 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile is CCN(CC)C1CCN(CC(N)(C#N)C2CC2)C1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile?
The InChIKey is DCHBCVFQAAGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-18(4-2)13-7-8-17(9-13)11-14(16,10-15)12-5-6-12/h12-13H,3-9,11,16H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile?
2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile has a molecular weight of 250.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 63906026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).