1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine

C11H20N2 — CID 170255458

IUPAC1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC(N2CC=CCC2)C1
InChIInChI=1S/C11H20N2/c1-10(2)13-8-11(9-13)12-6-4-3-5-7-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyUPXOTJRRXBIJMZ-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.34
Rot. Bonds2

About 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine

1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 170255458) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID170255458
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC(N2CC=CCC2)C1
InChIInChI=1S/C11H20N2/c1-10(2)13-8-11(9-13)12-6-4-3-5-7-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyUPXOTJRRXBIJMZ-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.34
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

1-cyclopropyl-3,6-dihydro-2H-pyridine
CID 45087168
4-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
ethane;1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 169145836
1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine
CID 130638381
1-propan-2-yl-3-[3-(3-propan-2-ylazetidin-1-yl)azetidin-1-yl]azetidine
CID 166559631
(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol
CID 156546476
1-propan-2-ylazepane;1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 176703713
1-(1-cyclopropylethyl)-3,6-dihydro-2H-pyridine
CID 130734768
1-(1-bromoethyl)-3,6-dihydro-2H-pyridine
CID 174278669
(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine
CID 167278579
1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
CID 174829694
7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146275691

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine (CID 170255458) is 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine is CC(C)N1CC(N2CC=CCC2)C1.
What is the InChIKey of 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is UPXOTJRRXBIJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)13-8-11(9-13)12-6-4-3-5-7-12/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine?
1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 180.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170255458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).