4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile

C15H28N4O — CID 63171009

IUPAC4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C#N)CCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H28N4O/c1-13(2)17-14(11-16)3-5-18-6-4-15(12-18)19-7-9-20-10-8-19/h13-15,17H,3-10,12H2,1-2H3
InChIKeyPOUWYEHLYXOSEA-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.67
Rot. Bonds6

About 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile

4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63171009) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
PubChem CID63171009
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C#N)CCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H28N4O/c1-13(2)17-14(11-16)3-5-18-6-4-15(12-18)19-7-9-20-10-8-19/h13-15,17H,3-10,12H2,1-2H3
InChIKeyPOUWYEHLYXOSEA-UHFFFAOYSA-N
XLogP0.67
TPSA51.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63027929
4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 55144475
4-(3-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029256
2-(ethylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791294
4-(azepan-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029454
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(propan-2-ylamino)propanenitrile
CID 63150560
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)ethyl]pentan-3-amine
CID 63167334
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)butanenitrile
CID 81199404
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63169704
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile (CID 63171009) is 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile is CC(C)NC(C#N)CCN1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is POUWYEHLYXOSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-13(2)17-14(11-16)3-5-18-6-4-15(12-18)19-7-9-20-10-8-19/h13-15,17H,3-10,12H2,1-2H3.
What are the key properties of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 280.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63171009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).