2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile

C16H29N3 — CID 78977424

IUPAC2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
SMILESCC(C)CCN(CCC(C)(C#N)NC1CC1)C1CC1
InChIInChI=1S/C16H29N3/c1-13(2)8-10-19(15-6-7-15)11-9-16(3,12-17)18-14-4-5-14/h13-15,18H,4-11H2,1-3H3
InChIKeyQCFJRZGTXPQCIU-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds9

About 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile

2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile (PubChem CID 78977424) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
PubChem CID78977424
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
SMILESCC(C)CCN(CCC(C)(C#N)NC1CC1)C1CC1
InChIInChI=1S/C16H29N3/c1-13(2)8-10-19(15-6-7-15)11-9-16(3,12-17)18-14-4-5-14/h13-15,18H,4-11H2,1-3H3
InChIKeyQCFJRZGTXPQCIU-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile (CID 78977424) is 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile is CC(C)CCN(CCC(C)(C#N)NC1CC1)C1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile?
The InChIKey is QCFJRZGTXPQCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)8-10-19(15-6-7-15)11-9-16(3,12-17)18-14-4-5-14/h13-15,18H,4-11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile?
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile has a molecular weight of 263.43 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 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile is sourced from PubChem (CID 78977424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).