4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine

C20H38N2 — CID 177170720

IUPAC4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C)CC1C.CCC1=C(CC)CN(C)CC1
InChIInChI=1S/2C10H19N/c1-8(2)10-5-6-11(4)7-9(10)3;1-4-9-6-7-11(3)8-10(9)5-2/h5,8-9H,6-7H2,1-4H3;4-8H2,1-3H3
InChIKeyKFPKHMLWBOYDOG-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.59
Rot. Bonds3

About 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine

4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 177170720) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID177170720
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C)CC1C.CCC1=C(CC)CN(C)CC1
InChIInChI=1S/2C10H19N/c1-8(2)10-5-6-11(4)7-9(10)3;1-4-9-6-7-11(3)8-10(9)5-2/h5,8-9H,6-7H2,1-4H3;4-8H2,1-3H3
InChIKeyKFPKHMLWBOYDOG-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 177170720) is 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCN(C)CC1C.CCC1=C(CC)CN(C)CC1.
What is the InChIKey of 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is KFPKHMLWBOYDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N/c1-8(2)10-5-6-11(4)7-9(10)3;1-4-9-6-7-11(3)8-10(9)5-2/h5,8-9H,6-7H2,1-4H3;4-8H2,1-3H3.
What are the key properties of 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 306.54 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1-methyl-3,6-dihydro-2H-pyridine;1,3-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 177170720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).