2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile

C12H25N3O — CID 63030258

IUPAC2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
SMILESCCNC(C#N)CCN(CC)C(C)COC
InChIInChI=1S/C12H25N3O/c1-5-14-12(9-13)7-8-15(6-2)11(3)10-16-4/h11-12,14H,5-8,10H2,1-4H3
InChIKeyIHTAMOWNPOJCAJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.23
Rot. Bonds9

About 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile

2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile (PubChem CID 63030258) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
PubChem CID63030258
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
SMILESCCNC(C#N)CCN(CC)C(C)COC
InChIInChI=1S/C12H25N3O/c1-5-14-12(9-13)7-8-15(6-2)11(3)10-16-4/h11-12,14H,5-8,10H2,1-4H3
InChIKeyIHTAMOWNPOJCAJ-UHFFFAOYSA-N
XLogP1.23
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile (CID 63030258) is 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile is CCNC(C#N)CCN(CC)C(C)COC.
What is the InChIKey of 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile?
The InChIKey is IHTAMOWNPOJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-14-12(9-13)7-8-15(6-2)11(3)10-16-4/h11-12,14H,5-8,10H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile?
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile has a molecular weight of 227.35 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile is sourced from PubChem (CID 63030258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).