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

C13H27N3 — CID 106802964

IUPAC2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCN(C)CCCC(C#N)(CC)NC(C)C
InChIInChI=1S/C13H27N3/c1-6-13(11-14,15-12(3)4)9-8-10-16(5)7-2/h12,15H,6-10H2,1-5H3
InChIKeyFBBNYOBCHVJWNT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.39
Rot. Bonds8

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

2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106802964) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
PubChem CID106802964
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCN(C)CCCC(C#N)(CC)NC(C)C
InChIInChI=1S/C13H27N3/c1-6-13(11-14,15-12(3)4)9-8-10-16(5)7-2/h12,15H,6-10H2,1-5H3
InChIKeyFBBNYOBCHVJWNT-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803055
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
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
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
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-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile (CID 106802964) is 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile is CCN(C)CCCC(C#N)(CC)NC(C)C.
What is the InChIKey of 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is FBBNYOBCHVJWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-13(11-14,15-12(3)4)9-8-10-16(5)7-2/h12,15H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile?
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106802964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).