4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile

C15H29N3 — CID 64698955

IUPAC4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCCCCN(CC)C(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C15H29N3/c1-5-7-10-18(6-2)13(3)11-15(4,12-16)17-14-8-9-14/h13-14,17H,5-11H2,1-4H3
InChIKeyXTEMKTZOSUYJJQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.92
Rot. Bonds9

About 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile

4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile (PubChem CID 64698955) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
PubChem CID64698955
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCCCCN(CC)C(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C15H29N3/c1-5-7-10-18(6-2)13(3)11-15(4,12-16)17-14-8-9-14/h13-14,17H,5-11H2,1-4H3
InChIKeyXTEMKTZOSUYJJQ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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-(cyclopropylamino)-2-methylpentanenitrile?
The IUPAC name of 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile (CID 64698955) is 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile is CCCCN(CC)C(C)CC(C)(C#N)NC1CC1.
What is the InChIKey of 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile?
The InChIKey is XTEMKTZOSUYJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-7-10-18(6-2)13(3)11-15(4,12-16)17-14-8-9-14/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile?
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.92, 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-(cyclopropylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64698955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).