1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine

C34H76N6O — CID 159658081

IUPAC1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine
SMILESC.C.CC1=CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/2C7H15N.C7H13N.C6H14N2.C5H11NO.2CH4/c1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;;/h2*7H,3-6H2,1-2H3;4H,3,5-6H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2*1H4
InChIKeyMSKWNIODSPTFRZ-UHFFFAOYSA-N
MW585.02 g/mol
LogP5.05
Rot. Bonds

About 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine

1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine (PubChem CID 159658081) has the molecular formula C34H76N6O and a molecular weight of 585.02 g/mol. Its IUPAC name is 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine.

Molecular Properties

Compound Name1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine
PubChem CID159658081
Molecular FormulaC34H76N6O
Molecular Weight585.02 g/mol
Exact Mass584.61
IUPAC Name1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine
SMILESC.C.CC1=CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/2C7H15N.C7H13N.C6H14N2.C5H11NO.2CH4/c1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;;/h2*7H,3-6H2,1-2H3;4H,3,5-6H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2*1H4
InChIKeyMSKWNIODSPTFRZ-UHFFFAOYSA-N
XLogP5.05
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.02
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;4-methylmorpholine
CID 160796997
Ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 164980329
Ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 165059902

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine?
The IUPAC name of 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine (CID 159658081) is 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine.
What is the SMILES notation for 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine?
The canonical SMILES for 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine is C.C.CC1=CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine?
The InChIKey is MSKWNIODSPTFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.C7H13N.C6H14N2.C5H11NO.2CH4/c1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;;/h2*7H,3-6H2,1-2H3;4H,3,5-6H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3;2*1H4.
What are the key properties of 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine?
1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine has a molecular weight of 585.02 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine is sourced from PubChem (CID 159658081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).