1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane

C13H27N — CID 158852801

IUPAC1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane
SMILESCC.CC(C)C1=CCN(C(C)C)CC1
InChIInChI=1S/C11H21N.C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h5,9-10H,6-8H2,1-4H3;1-2H3
InChIKeyIZRCYVDKJIPXTH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds2

About 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane (PubChem CID 158852801) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane
PubChem CID158852801
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane
SMILESCC.CC(C)C1=CCN(C(C)C)CC1
InChIInChI=1S/C11H21N.C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h5,9-10H,6-8H2,1-4H3;1-2H3
InChIKeyIZRCYVDKJIPXTH-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
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-tert-butyl-delta3-piperideine
CID 180571
Piperidine, 3,4-didehydro-4-ethyl-1,2,2,6,6-pentamethyl-
CID 114042
4-Cyclopropyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 126720
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
Pyridine, 1,2,3,6-tetrahydro-4-ethyl-1,2,2,6,6-pentamethyl-, hydrochloride
CID 114041
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
3-fluoro-1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145646345
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane?
The IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane (CID 158852801) is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane.
What is the SMILES notation for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane?
The canonical SMILES for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane is CC.CC(C)C1=CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane?
The InChIKey is IZRCYVDKJIPXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h5,9-10H,6-8H2,1-4H3;1-2H3.
What are the key properties of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane?
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane has a molecular weight of 197.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;ethane is sourced from PubChem (CID 158852801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).