5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile

C15H29N3 — CID 107400970

IUPAC5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC)CC1CCC1
InChIInChI=1S/C15H29N3/c1-4-15(13-16,17-3)10-7-11-18(5-2)12-14-8-6-9-14/h14,17H,4-12H2,1-3H3
InChIKeyHCCNJAOBRGIHMX-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds9

About 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile

5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 107400970) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID107400970
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC)CC1CCC1
InChIInChI=1S/C15H29N3/c1-4-15(13-16,17-3)10-7-11-18(5-2)12-14-8-6-9-14/h14,17H,4-12H2,1-3H3
InChIKeyHCCNJAOBRGIHMX-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile
CID 106804826
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
CID 106803016
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64789438
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile (CID 107400970) is 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile is CCN(CCCC(C#N)(CC)NC)CC1CCC1.
What is the InChIKey of 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is HCCNJAOBRGIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-15(13-16,17-3)10-7-11-18(5-2)12-14-8-6-9-14/h14,17H,4-12H2,1-3H3.
What are the key properties of 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile?
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 107400970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).