2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile

C15H28N2 — CID 54894281

IUPAC2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile
SMILESCCC(C)CC(C#N)(CC)NC1CCCCC1
InChIInChI=1S/C15H28N2/c1-4-13(3)11-15(5-2,12-16)17-14-9-7-6-8-10-14/h13-14,17H,4-11H2,1-3H3
InChIKeyLCNIVLJCXBBBEV-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.02
Rot. Bonds6

About 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile

2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile (PubChem CID 54894281) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile
PubChem CID54894281
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile
SMILESCCC(C)CC(C#N)(CC)NC1CCCCC1
InChIInChI=1S/C15H28N2/c1-4-13(3)11-15(5-2,12-16)17-14-9-7-6-8-10-14/h13-14,17H,4-11H2,1-3H3
InChIKeyLCNIVLJCXBBBEV-UHFFFAOYSA-N
XLogP4.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile?
The IUPAC name of 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile (CID 54894281) is 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile is CCC(C)CC(C#N)(CC)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile?
The InChIKey is LCNIVLJCXBBBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-13(3)11-15(5-2,12-16)17-14-9-7-6-8-10-14/h13-14,17H,4-11H2,1-3H3.
What are the key properties of 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile?
2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile has a molecular weight of 236.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-ethyl-4-methylhexanenitrile is sourced from PubChem (CID 54894281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).