2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile

C17H31N3O — CID 102745431

IUPAC2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
SMILESCCCNC(C#N)(CN1CC(C)(C)OC(C)(C)C1)C1CC1
InChIInChI=1S/C17H31N3O/c1-6-9-19-17(10-18,14-7-8-14)13-20-11-15(2,3)21-16(4,5)12-20/h14,19H,6-9,11-13H2,1-5H3
InChIKeyDRAHCHKSVDSOST-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.55
Rot. Bonds6

About 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile

2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile (PubChem CID 102745431) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
PubChem CID102745431
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
SMILESCCCNC(C#N)(CN1CC(C)(C)OC(C)(C)C1)C1CC1
InChIInChI=1S/C17H31N3O/c1-6-9-19-17(10-18,14-7-8-14)13-20-11-15(2,3)21-16(4,5)12-20/h14,19H,6-9,11-13H2,1-5H3
InChIKeyDRAHCHKSVDSOST-UHFFFAOYSA-N
XLogP2.55
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394663
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63912194
2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
CID 63912507
2-cyclopropyl-2-(ethylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102746414
2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913581
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile
CID 63912068
2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
CID 65282324
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63913340
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051
3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
CID 102745787

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile (CID 102745431) is 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile is CCCNC(C#N)(CN1CC(C)(C)OC(C)(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile?
The InChIKey is DRAHCHKSVDSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-9-19-17(10-18,14-7-8-14)13-20-11-15(2,3)21-16(4,5)12-20/h14,19H,6-9,11-13H2,1-5H3.
What are the key properties of 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile?
2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile has a molecular weight of 293.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile is sourced from PubChem (CID 102745431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).