5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile

C16H33N3 — CID 106803413

IUPAC5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NC)C(C)CC
InChIInChI=1S/C16H33N3/c1-6-9-12-19(15(4)7-2)13-10-11-16(8-3,14-17)18-5/h15,18H,6-13H2,1-5H3
InChIKeyYCULFOONJHGYBR-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.56
Rot. Bonds11

About 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile

5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106803413) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106803413
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NC)C(C)CC
InChIInChI=1S/C16H33N3/c1-6-9-12-19(15(4)7-2)13-10-11-16(8-3,14-17)18-5/h15,18H,6-13H2,1-5H3
InChIKeyYCULFOONJHGYBR-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803411
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106804057
2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
CID 106803016
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
2-ethyl-2-(methylamino)-5-pentylsulfanylpentanenitrile
CID 107754893
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
2-ethyl-2-(methylamino)-5-(2-methylpropylsulfanyl)pentanenitrile
CID 106805009
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile (CID 106803413) is 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile is CCCCN(CCCC(C#N)(CC)NC)C(C)CC.
What is the InChIKey of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is YCULFOONJHGYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-9-12-19(15(4)7-2)13-10-11-16(8-3,14-17)18-5/h15,18H,6-13H2,1-5H3.
What are the key properties of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 267.46 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106803413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).