acetonitrile;cyclohexane;N,N-diethylethanamine

C14H30N2 — CID 23094312

IUPACacetonitrile;cyclohexane;N,N-diethylethanamine
SMILESC1CCCCC1.CC#N.CCN(CC)CC
InChIInChI=1S/C6H15N.C6H12.C2H3N/c1-4-7(5-2)6-3;1-2-4-6-5-3-1;1-2-3/h4-6H2,1-3H3;1-6H2;1H3
InChIKeyRYFXTWHDUGIVEC-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.22
Rot. Bonds3

About acetonitrile;cyclohexane;N,N-diethylethanamine

acetonitrile;cyclohexane;N,N-diethylethanamine (PubChem CID 23094312) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is acetonitrile;cyclohexane;N,N-diethylethanamine.

Molecular Properties

Compound Nameacetonitrile;cyclohexane;N,N-diethylethanamine
PubChem CID23094312
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameacetonitrile;cyclohexane;N,N-diethylethanamine
SMILESC1CCCCC1.CC#N.CCN(CC)CC
InChIInChI=1S/C6H15N.C6H12.C2H3N/c1-4-7(5-2)6-3;1-2-4-6-5-3-1;1-2-3/h4-6H2,1-3H3;1-6H2;1H3
InChIKeyRYFXTWHDUGIVEC-UHFFFAOYSA-N
XLogP4.22
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;cyclohexane;N,N-diethylethanamine?
The IUPAC name of acetonitrile;cyclohexane;N,N-diethylethanamine (CID 23094312) is acetonitrile;cyclohexane;N,N-diethylethanamine.
What is the SMILES notation for acetonitrile;cyclohexane;N,N-diethylethanamine?
The canonical SMILES for acetonitrile;cyclohexane;N,N-diethylethanamine is C1CCCCC1.CC#N.CCN(CC)CC.
What is the InChIKey of acetonitrile;cyclohexane;N,N-diethylethanamine?
The InChIKey is RYFXTWHDUGIVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H12.C2H3N/c1-4-7(5-2)6-3;1-2-4-6-5-3-1;1-2-3/h4-6H2,1-3H3;1-6H2;1H3.
What are the key properties of acetonitrile;cyclohexane;N,N-diethylethanamine?
acetonitrile;cyclohexane;N,N-diethylethanamine has a molecular weight of 226.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;cyclohexane;N,N-diethylethanamine is sourced from PubChem (CID 23094312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).