3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine

C13H23N — CID 166663027

IUPAC3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine
SMILESC/C=C\C1=NCC(C)(C)CC1C(C)C
InChIInChI=1S/C13H23N/c1-6-7-12-11(10(2)3)8-13(4,5)9-14-12/h6-7,10-11H,8-9H2,1-5H3/b7-6-
InChIKeyRGRZYJQBDRFSJE-SREVYHEPSA-N
MW193.33 g/mol
LogP3.71
Rot. Bonds2

About 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine

3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine (PubChem CID 166663027) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine
PubChem CID166663027
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine
SMILESC/C=C\C1=NCC(C)(C)CC1C(C)C
InChIInChI=1S/C13H23N/c1-6-7-12-11(10(2)3)8-13(4,5)9-14-12/h6-7,10-11H,8-9H2,1-5H3/b7-6-
InChIKeyRGRZYJQBDRFSJE-SREVYHEPSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine?
The IUPAC name of 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine (CID 166663027) is 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine.
What is the SMILES notation for 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine?
The canonical SMILES for 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine is C/C=C\C1=NCC(C)(C)CC1C(C)C.
What is the InChIKey of 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine?
The InChIKey is RGRZYJQBDRFSJE-SREVYHEPSA-N. The full InChI is InChI=1S/C13H23N/c1-6-7-12-11(10(2)3)8-13(4,5)9-14-12/h6-7,10-11H,8-9H2,1-5H3/b7-6-.
What are the key properties of 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine?
3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine has a molecular weight of 193.33 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 3,3-dimethyl-5-propan-2-yl-6-[(Z)-prop-1-enyl]-4,5-dihydro-2H-pyridine is sourced from PubChem (CID 166663027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).