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

C18H37N3 — CID 106803411

IUPAC5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NC(C)C)C(C)CC
InChIInChI=1S/C18H37N3/c1-7-10-13-21(17(6)8-2)14-11-12-18(9-3,15-19)20-16(4)5/h16-17,20H,7-14H2,1-6H3
InChIKeyVWYPHWJCRNVGIL-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.34
Rot. Bonds12

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

5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106803411) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106803411
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCN(CCCC(C#N)(CC)NC(C)C)C(C)CC
InChIInChI=1S/C18H37N3/c1-7-10-13-21(17(6)8-2)14-11-12-18(9-3,15-19)20-16(4)5/h16-17,20H,7-14H2,1-6H3
InChIKeyVWYPHWJCRNVGIL-UHFFFAOYSA-N
XLogP4.34
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106803413
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
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
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
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803166
3-[butan-2-yl(butyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63914008

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106803411) is 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCCCN(CCCC(C#N)(CC)NC(C)C)C(C)CC.
What is the InChIKey of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is VWYPHWJCRNVGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-7-10-13-21(17(6)8-2)14-11-12-18(9-3,15-19)20-16(4)5/h16-17,20H,7-14H2,1-6H3.
What are the key properties of 5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 295.51 g/mol, XLogP of 4.34, 12 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-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106803411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).