2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile

C14H27N3O — CID 64727471

IUPAC2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N1CCOCC1C
InChIInChI=1S/C14H27N3O/c1-5-6-16-14(4,11-15)9-12(2)17-7-8-18-10-13(17)3/h12-13,16H,5-10H2,1-4H3
InChIKeyMZCREFNKLZHLCG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds6

About 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile

2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile (PubChem CID 64727471) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile
PubChem CID64727471
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)N1CCOCC1C
InChIInChI=1S/C14H27N3O/c1-5-6-16-14(4,11-15)9-12(2)17-7-8-18-10-13(17)3/h12-13,16H,5-10H2,1-4H3
InChIKeyMZCREFNKLZHLCG-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile (CID 64727471) is 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)N1CCOCC1C.
What is the InChIKey of 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile?
The InChIKey is MZCREFNKLZHLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-6-16-14(4,11-15)9-12(2)17-7-8-18-10-13(17)3/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile?
2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylmorpholin-4-yl)-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64727471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).