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

C11H21N — CID 59559343

IUPAC1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CC=CN(C(C)C)C1
InChIInChI=1S/C11H21N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5,7,9-11H,6,8H2,1-4H3
InChIKeyKVJNTEKSJBABHR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.89
Rot. Bonds2

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

1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine (PubChem CID 59559343) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine
PubChem CID59559343
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CC=CN(C(C)C)C1
InChIInChI=1S/C11H21N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5,7,9-11H,6,8H2,1-4H3
InChIKeyKVJNTEKSJBABHR-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine (CID 59559343) is 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine is CC(C)C1CC=CN(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is KVJNTEKSJBABHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5,7,9-11H,6,8H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 59559343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).