4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile

C15H31N3 — CID 64698958

IUPAC4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCN(CC)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C15H31N3/c1-7-9-10-18(8-2)14(5)11-15(6,12-16)17-13(3)4/h13-14,17H,7-11H2,1-6H3
InChIKeyBBCUIRUYBVBJNM-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.17
Rot. Bonds9

About 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile

4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64698958) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID64698958
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCCCN(CC)C(C)CC(C)(C#N)NC(C)C
InChIInChI=1S/C15H31N3/c1-7-9-10-18(8-2)14(5)11-15(6,12-16)17-13(3)4/h13-14,17H,7-11H2,1-6H3
InChIKeyBBCUIRUYBVBJNM-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 64698958) is 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile is CCCCN(CC)C(C)CC(C)(C#N)NC(C)C.
What is the InChIKey of 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is BBCUIRUYBVBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-7-9-10-18(8-2)14(5)11-15(6,12-16)17-13(3)4/h13-14,17H,7-11H2,1-6H3.
What are the key properties of 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile?
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 253.43 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64698958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).