1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine

C18H36N2 — CID 159802692

IUPAC1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1=CCN(C)CC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C9H19N.C9H17N/c2*1-8(2)9-4-6-10(3)7-5-9/h8-9H,4-7H2,1-3H3;4,8H,5-7H2,1-3H3
InChIKeyNJZLSSGKPUILDZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.89
Rot. Bonds2

About 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine

1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine (PubChem CID 159802692) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine
PubChem CID159802692
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1=CCN(C)CC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C9H19N.C9H17N/c2*1-8(2)9-4-6-10(3)7-5-9/h8-9H,4-7H2,1-3H3;4,8H,5-7H2,1-3H3
InChIKeyNJZLSSGKPUILDZ-UHFFFAOYSA-N
XLogP3.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.89
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

methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 159354677
cumene;ethane;methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylpiperidin-1-ide;tungsten
CID 161253702
4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 121223730
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-pyridine;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-yl-2,5-dihydropyrrole;1-methyl-5-propan-2-yl-2,3-dihydropyrrole;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine
CID 157378305
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine
CID 139460422
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
[4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol
CID 141207849
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine
CID 159763964
1-methyl-N-(3-propan-2-ylcyclobutyl)piperidin-4-amine
CID 103561039
1,4-dimethyl-3,6-dihydro-2H-pyridine;propane
CID 178031639

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine (CID 159802692) is 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine is CC(C)C1=CCN(C)CC1.CC(C)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine?
The InChIKey is NJZLSSGKPUILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C9H17N/c2*1-8(2)9-4-6-10(3)7-5-9/h8-9H,4-7H2,1-3H3;4,8H,5-7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine?
1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine has a molecular weight of 280.50 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 159802692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).