5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile

C17H33N3 — CID 106803666

IUPAC5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)CC1CCCC1
InChIInChI=1S/C17H33N3/c1-4-12-19-17(5-2,15-18)11-8-13-20(3)14-16-9-6-7-10-16/h16,19H,4-14H2,1-3H3
InChIKeyRQSDQDSEKFTODT-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.56
Rot. Bonds10

About 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile

5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile (PubChem CID 106803666) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
PubChem CID106803666
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)CC1CCCC1
InChIInChI=1S/C17H33N3/c1-4-12-19-17(5-2,15-18)11-8-13-20(3)14-16-9-6-7-10-16/h16,19H,4-14H2,1-3H3
InChIKeyRQSDQDSEKFTODT-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808716
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
CID 106803371
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 106803917
5-cyclohexylsulfanyl-2-ethyl-2-(propylamino)pentanenitrile
CID 106805261
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 107400970

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
The IUPAC name of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile (CID 106803666) is 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCN(C)CC1CCCC1.
What is the InChIKey of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
The InChIKey is RQSDQDSEKFTODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-12-19-17(5-2,15-18)11-8-13-20(3)14-16-9-6-7-10-16/h16,19H,4-14H2,1-3H3.
What are the key properties of 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106803666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).