N,N-diethylethanamine;pyridine;toluene;hydrate

C18H30N2O — CID 66718455

IUPACN,N-diethylethanamine;pyridine;toluene;hydrate
SMILESCCN(CC)CC.Cc1ccccc1.O.c1ccncc1
InChIInChI=1S/C7H8.C6H15N.C5H5N.H2O/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;1-2-4-6-5-3-1;/h2-6H,1H3;4-6H2,1-3H3;1-5H;1H2
InChIKeyHPLAQFAYUWYLHC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.60
Rot. Bonds3

About N,N-diethylethanamine;pyridine;toluene;hydrate

N,N-diethylethanamine;pyridine;toluene;hydrate (PubChem CID 66718455) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-diethylethanamine;pyridine;toluene;hydrate.

Molecular Properties

Compound NameN,N-diethylethanamine;pyridine;toluene;hydrate
PubChem CID66718455
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-diethylethanamine;pyridine;toluene;hydrate
SMILESCCN(CC)CC.Cc1ccccc1.O.c1ccncc1
InChIInChI=1S/C7H8.C6H15N.C5H5N.H2O/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;1-2-4-6-5-3-1;/h2-6H,1H3;4-6H2,1-3H3;1-5H;1H2
InChIKeyHPLAQFAYUWYLHC-UHFFFAOYSA-N
XLogP3.60
TPSA47.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;pyridine;toluene;hydrate?
The IUPAC name of N,N-diethylethanamine;pyridine;toluene;hydrate (CID 66718455) is N,N-diethylethanamine;pyridine;toluene;hydrate.
What is the SMILES notation for N,N-diethylethanamine;pyridine;toluene;hydrate?
The canonical SMILES for N,N-diethylethanamine;pyridine;toluene;hydrate is CCN(CC)CC.Cc1ccccc1.O.c1ccncc1.
What is the InChIKey of N,N-diethylethanamine;pyridine;toluene;hydrate?
The InChIKey is HPLAQFAYUWYLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H15N.C5H5N.H2O/c1-7-5-3-2-4-6-7;1-4-7(5-2)6-3;1-2-4-6-5-3-1;/h2-6H,1H3;4-6H2,1-3H3;1-5H;1H2.
What are the key properties of N,N-diethylethanamine;pyridine;toluene;hydrate?
N,N-diethylethanamine;pyridine;toluene;hydrate has a molecular weight of 290.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;pyridine;toluene;hydrate is sourced from PubChem (CID 66718455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).