2-ethyl-3-(methylamino)hexanenitrile

C9H18N2 — CID 26636

IUPAC2-ethyl-3-(methylamino)hexanenitrile
SMILESCCCC(NC)C(C#N)CC
InChIInChI=1S/C9H18N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-6H2,1-3H3
InChIKeyXWOGGMHXORDTGR-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.92
Rot. Bonds5

About 2-ethyl-3-(methylamino)hexanenitrile

2-ethyl-3-(methylamino)hexanenitrile (PubChem CID 26636) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-ethyl-3-(methylamino)hexanenitrile.

Molecular Properties

Compound Name2-ethyl-3-(methylamino)hexanenitrile
PubChem CID26636
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-ethyl-3-(methylamino)hexanenitrile
SMILESCCCC(NC)C(C#N)CC
InChIInChI=1S/C9H18N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-6H2,1-3H3
InChIKeyXWOGGMHXORDTGR-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(methylamino)hexanenitrile?
The IUPAC name of 2-ethyl-3-(methylamino)hexanenitrile (CID 26636) is 2-ethyl-3-(methylamino)hexanenitrile.
What is the SMILES notation for 2-ethyl-3-(methylamino)hexanenitrile?
The canonical SMILES for 2-ethyl-3-(methylamino)hexanenitrile is CCCC(NC)C(C#N)CC.
What is the InChIKey of 2-ethyl-3-(methylamino)hexanenitrile?
The InChIKey is XWOGGMHXORDTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-3-(methylamino)hexanenitrile?
2-ethyl-3-(methylamino)hexanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(methylamino)hexanenitrile is sourced from PubChem (CID 26636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).