4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine

C14H21N — CID 144774488

IUPAC4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine
SMILESC=C(C)/C=C\C(=C)N1C=CC(C)(C)CC1
InChIInChI=1S/C14H21N/c1-12(2)6-7-13(3)15-10-8-14(4,5)9-11-15/h6-8,10H,1,3,9,11H2,2,4-5H3/b7-6-
InChIKeyKXRUKFXGTAQRJV-SREVYHEPSA-N
MW203.33 g/mol
LogP3.88
Rot. Bonds3

About 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine

4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine (PubChem CID 144774488) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine
PubChem CID144774488
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine
SMILESC=C(C)/C=C\C(=C)N1C=CC(C)(C)CC1
InChIInChI=1S/C14H21N/c1-12(2)6-7-13(3)15-10-8-14(4,5)9-11-15/h6-8,10H,1,3,9,11H2,2,4-5H3/b7-6-
InChIKeyKXRUKFXGTAQRJV-SREVYHEPSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine?
The IUPAC name of 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine (CID 144774488) is 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine?
The canonical SMILES for 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine is C=C(C)/C=C\C(=C)N1C=CC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine?
The InChIKey is KXRUKFXGTAQRJV-SREVYHEPSA-N. The full InChI is InChI=1S/C14H21N/c1-12(2)6-7-13(3)15-10-8-14(4,5)9-11-15/h6-8,10H,1,3,9,11H2,2,4-5H3/b7-6-.
What are the key properties of 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine?
4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine has a molecular weight of 203.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 144774488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).