2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile

C16H31N3O — CID 106803917

IUPAC2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)C1CCOC1C
InChIInChI=1S/C16H31N3O/c1-5-10-18-16(6-2,13-17)9-7-11-19(4)15-8-12-20-14(15)3/h14-15,18H,5-12H2,1-4H3
InChIKeyJNTQIBZRWPPKNX-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.55
Rot. Bonds9

About 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile

2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile (PubChem CID 106803917) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
PubChem CID106803917
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)C1CCOC1C
InChIInChI=1S/C16H31N3O/c1-5-10-18-16(6-2,13-17)9-7-11-19(4)15-8-12-20-14(15)3/h14-15,18H,5-12H2,1-4H3
InChIKeyJNTQIBZRWPPKNX-UHFFFAOYSA-N
XLogP2.55
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82749198
2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
CID 82748408
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
CID 82744273
N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82753744
2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
CID 106803371
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
CID 106804715
2-(methylamino)-4-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylbutanenitrile
CID 116692652
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile (CID 106803917) is 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCN(C)C1CCOC1C.
What is the InChIKey of 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
The InChIKey is JNTQIBZRWPPKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-10-18-16(6-2,13-17)9-7-11-19(4)15-8-12-20-14(15)3/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile has a molecular weight of 281.44 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106803917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).