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

C15H28N4 — CID 63165674

IUPAC2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile
SMILESCCN(CC)C1CCN(CCC(C#N)NC2CC2)C1
InChIInChI=1S/C15H28N4/c1-3-19(4-2)15-8-10-18(12-15)9-7-14(11-16)17-13-5-6-13/h13-15,17H,3-10,12H2,1-2H3
InChIKeyPZOBWBPCXRUWSC-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.44
Rot. Bonds8

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

2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile (PubChem CID 63165674) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile
PubChem CID63165674
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile
SMILESCCN(CC)C1CCN(CCC(C#N)NC2CC2)C1
InChIInChI=1S/C15H28N4/c1-3-19(4-2)15-8-10-18(12-15)9-7-14(11-16)17-13-5-6-13/h13-15,17H,3-10,12H2,1-2H3
InChIKeyPZOBWBPCXRUWSC-UHFFFAOYSA-N
XLogP1.44
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673
2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile
CID 63028108
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile
CID 113336073
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433
N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine
CID 106799808
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167533
2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
CID 63028154

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile (CID 63165674) is 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile is CCN(CC)C1CCN(CCC(C#N)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile?
The InChIKey is PZOBWBPCXRUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-19(4-2)15-8-10-18(12-15)9-7-14(11-16)17-13-5-6-13/h13-15,17H,3-10,12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile?
2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile has a molecular weight of 264.42 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile is sourced from PubChem (CID 63165674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).