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

C18H40N2 — CID 143558154

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane
SMILESCC.CC.CC1=CCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.2C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-2/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*1-2H3
InChIKeyISRSYIRYKSMVKW-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.67
Rot. Bonds

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

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane (PubChem CID 143558154) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane
PubChem CID143558154
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane
SMILESCC.CC.CC1=CCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.2C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-2/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*1-2H3
InChIKeyISRSYIRYKSMVKW-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z,10S,11R,19Z,23R)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene
CID 10628969
Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
Cambridge id 5424826
CID 782854
1-Ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
CID 2845760
N-[(4-isopropenyl-1-cyclohexen-1-yl)methyl]-N,1-dimethyl-4-piperidinamine
CID 6456299
(2S)-N-ethyl-2,6-dimethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]hept-5-en-1-amine
CID 26326173
3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 156799121
Halicyclamine B
CID 10628970
1-(Prop-2-en-1-yl)-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3906191
1-[(E)-3-methylpent-2-enyl]piperidine
CID 22628672
1-[(Z)-2-ethylbut-2-enyl]piperidine
CID 22628673
(3Z)-3-ethylidene-1-methyl-4-prop-2-enylpiperidine
CID 23524296

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane (CID 143558154) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane is CC.CC.CC1=CCN(C)CC1.CC1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane?
The InChIKey is ISRSYIRYKSMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H13N.2C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-2/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane has a molecular weight of 284.53 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane is sourced from PubChem (CID 143558154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).