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

C17H33N3 — CID 106803221

IUPAC5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NCCC)C1CC1
InChIInChI=1S/C17H33N3/c1-4-7-13-20(16-9-10-16)14-8-11-17(6-3,15-18)19-12-5-2/h16,19H,4-14H2,1-3H3
InChIKeyMZFBLTZSNKJRLW-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.70
Rot. Bonds12

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

5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile (PubChem CID 106803221) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
PubChem CID106803221
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NCCC)C1CC1
InChIInChI=1S/C17H33N3/c1-4-7-13-20(16-9-10-16)14-8-11-17(6-3,15-18)19-12-5-2/h16,19H,4-14H2,1-3H3
InChIKeyMZFBLTZSNKJRLW-UHFFFAOYSA-N
XLogP3.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
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-(ethylamino)pentanenitrile
CID 106803169
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 106803917
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
5-cyclohexylsulfanyl-2-ethyl-2-(propylamino)pentanenitrile
CID 106805261

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
The IUPAC name of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile (CID 106803221) is 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile is CCCCN(CCCC(C#N)(CC)NCCC)C1CC1.
What is the InChIKey of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
The InChIKey is MZFBLTZSNKJRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-7-13-20(16-9-10-16)14-8-11-17(6-3,15-18)19-12-5-2/h16,19H,4-14H2,1-3H3.
What are the key properties of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile?
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.70, 12 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-(propylamino)pentanenitrile is sourced from PubChem (CID 106803221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).