5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile

C16H31N3 — CID 106803224

IUPAC5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NCC)C1CC1
InChIInChI=1S/C16H31N3/c1-4-7-12-19(15-9-10-15)13-8-11-16(5-2,14-17)18-6-3/h15,18H,4-13H2,1-3H3
InChIKeyVKWNDJYZAXMWMC-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.31
Rot. Bonds11

About 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile

5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106803224) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106803224
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NCC)C1CC1
InChIInChI=1S/C16H31N3/c1-4-7-12-19(15-9-10-15)13-8-11-16(5-2,14-17)18-6-3/h15,18H,4-13H2,1-3H3
InChIKeyVKWNDJYZAXMWMC-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169
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-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803166
N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
CID 65295973
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803296
2-ethyl-2-(ethylamino)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanenitrile
CID 106803619

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (CID 106803224) is 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is CCCCN(CCCC(C#N)(CC)NCC)C1CC1.
What is the InChIKey of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is VKWNDJYZAXMWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-7-12-19(15-9-10-15)13-8-11-16(5-2,14-17)18-6-3/h15,18H,4-13H2,1-3H3.
What are the key properties of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106803224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).