2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile

C15H23N3O — CID 106803438

IUPAC2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)c1cccc(OC)c1
InChIInChI=1S/C15H23N3O/c1-4-15(17,12-16)9-6-10-18(2)13-7-5-8-14(11-13)19-3/h5,7-8,11H,4,6,9-10,17H2,1-3H3
InChIKeyGZDXIUDBBAOTFX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds7

About 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile

2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile (PubChem CID 106803438) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
PubChem CID106803438
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)c1cccc(OC)c1
InChIInChI=1S/C15H23N3O/c1-4-15(17,12-16)9-6-10-18(2)13-7-5-8-14(11-13)19-3/h5,7-8,11H,4,6,9-10,17H2,1-3H3
InChIKeyGZDXIUDBBAOTFX-UHFFFAOYSA-N
XLogP2.54
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile (CID 106803438) is 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile is CCC(N)(C#N)CCCN(C)c1cccc(OC)c1.
What is the InChIKey of 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile?
The InChIKey is GZDXIUDBBAOTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-15(17,12-16)9-6-10-18(2)13-7-5-8-14(11-13)19-3/h5,7-8,11H,4,6,9-10,17H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile?
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile is sourced from PubChem (CID 106803438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).