1,4-dimethyl-3,6-dihydro-2H-pyridine;propane

C10H21N — CID 178031639

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;propane
SMILESCC1=CCN(C)CC1.CCC
InChIInChI=1S/C7H13N.C3H8/c1-7-3-5-8(2)6-4-7;1-3-2/h3H,4-6H2,1-2H3;3H2,1-2H3
InChIKeyAMIZRLOOMWTOET-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds

About 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane

1,4-dimethyl-3,6-dihydro-2H-pyridine;propane (PubChem CID 178031639) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;propane
PubChem CID178031639
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;propane
SMILESCC1=CCN(C)CC1.CCC
InChIInChI=1S/C7H13N.C3H8/c1-7-3-5-8(2)6-4-7;1-3-2/h3H,4-6H2,1-2H3;3H2,1-2H3
InChIKeyAMIZRLOOMWTOET-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
4-Ethynyl-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10443130
2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-, (2E)-
CID 6390621
1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
CID 324495
1-Geranylpiperidine
CID 12760939
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
1-Methyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3056866

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane (CID 178031639) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane is CC1=CCN(C)CC1.CCC.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane?
The InChIKey is AMIZRLOOMWTOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C3H8/c1-7-3-5-8(2)6-4-7;1-3-2/h3H,4-6H2,1-2H3;3H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane?
1,4-dimethyl-3,6-dihydro-2H-pyridine;propane has a molecular weight of 155.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;propane is sourced from PubChem (CID 178031639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).