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

C17H33N3 — CID 106803222

IUPAC5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NC(C)C)C1CC1
InChIInChI=1S/C17H33N3/c1-5-7-12-20(16-9-10-16)13-8-11-17(6-2,14-18)19-15(3)4/h15-16,19H,5-13H2,1-4H3
InChIKeyHCZJIPPSZQCNAN-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.70
Rot. Bonds11

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

5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106803222) 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-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106803222
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NC(C)C)C1CC1
InChIInChI=1S/C17H33N3/c1-5-7-12-20(16-9-10-16)13-8-11-17(6-2,14-18)19-15(3)4/h15-16,19H,5-13H2,1-4H3
InChIKeyHCZJIPPSZQCNAN-UHFFFAOYSA-N
XLogP3.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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

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Related Compounds

5-[cyclopropyl(propyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803009
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803166
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803411
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
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
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803055
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804047
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106803222) is 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCCCN(CCCC(C#N)(CC)NC(C)C)C1CC1.
What is the InChIKey of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is HCZJIPPSZQCNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-7-12-20(16-9-10-16)13-8-11-17(6-2,14-18)19-15(3)4/h15-16,19H,5-13H2,1-4H3.
What are the key properties of 5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.70, 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-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106803222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).