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

C15H29N3O — CID 82749198

IUPAC2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CCCN(C)C1CCOC1C
InChIInChI=1S/C15H29N3O/c1-5-9-17-15(3,12-16)8-6-10-18(4)14-7-11-19-13(14)2/h13-14,17H,5-11H2,1-4H3
InChIKeyGWYMTAJHMWDFJY-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds8

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

2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile (PubChem CID 82749198) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
PubChem CID82749198
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CCCN(C)C1CCOC1C
InChIInChI=1S/C15H29N3O/c1-5-9-17-15(3,12-16)8-6-10-18(4)14-7-11-19-13(14)2/h13-14,17H,5-11H2,1-4H3
InChIKeyGWYMTAJHMWDFJY-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 106803917
2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
CID 82748408
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
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
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
CID 55258249
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
2-(methylamino)-4-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylbutanenitrile
CID 116692652
2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine
CID 82744320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
The IUPAC name of 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile (CID 82749198) is 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CCCN(C)C1CCOC1C.
What is the InChIKey of 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
The InChIKey is GWYMTAJHMWDFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-9-17-15(3,12-16)8-6-10-18(4)14-7-11-19-13(14)2/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile?
2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile is sourced from PubChem (CID 82749198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).