2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

C16H33N3 — CID 106803055

IUPAC2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(C)C(C)C(C)C)NC(C)C
InChIInChI=1S/C16H33N3/c1-8-16(12-17,18-14(4)5)10-9-11-19(7)15(6)13(2)3/h13-15,18H,8-11H2,1-7H3
InChIKeyCQXSBGWEIRAYCF-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.41
Rot. Bonds9

About 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106803055) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
PubChem CID106803055
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(C)C(C)C(C)C)NC(C)C
InChIInChI=1S/C16H33N3/c1-8-16(12-17,18-14(4)5)10-9-11-19(7)15(6)13(2)3/h13-15,18H,8-11H2,1-7H3
InChIKeyCQXSBGWEIRAYCF-UHFFFAOYSA-N
XLogP3.41
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804047
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803411
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
5-[cyclopropyl(propyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803009
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803166
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propan-2-ylamino)pentanenitrile
CID 106805056
2-ethyl-2-(propan-2-ylamino)-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 106804907

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (CID 106803055) is 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is CCC(C#N)(CCCN(C)C(C)C(C)C)NC(C)C.
What is the InChIKey of 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is CQXSBGWEIRAYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-8-16(12-17,18-14(4)5)10-9-11-19(7)15(6)13(2)3/h13-15,18H,8-11H2,1-7H3.
What are the key properties of 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 267.46 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106803055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).