3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine

C14H19N — CID 123575679

IUPAC3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine
SMILESCC#CC1CC1(C)C1=CCC(C)(C)C=N1
InChIInChI=1S/C14H19N/c1-5-6-11-9-14(11,4)12-7-8-13(2,3)10-15-12/h7,10-11H,8-9H2,1-4H3
InChIKeyHCFLPJHKCKMTRM-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.42
Rot. Bonds1

About 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine

3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine (PubChem CID 123575679) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine.

Molecular Properties

Compound Name3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine
PubChem CID123575679
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine
SMILESCC#CC1CC1(C)C1=CCC(C)(C)C=N1
InChIInChI=1S/C14H19N/c1-5-6-11-9-14(11,4)12-7-8-13(2,3)10-15-12/h7,10-11H,8-9H2,1-4H3
InChIKeyHCFLPJHKCKMTRM-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine
CID 91394560
6-(1-Propan-2-ylcyclopropyl)-3,4-dihydropyridine
CID 175628725

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine?
The IUPAC name of 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine (CID 123575679) is 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine.
What is the SMILES notation for 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine?
The canonical SMILES for 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine is CC#CC1CC1(C)C1=CCC(C)(C)C=N1.
What is the InChIKey of 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine?
The InChIKey is HCFLPJHKCKMTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-6-11-9-14(11,4)12-7-8-13(2,3)10-15-12/h7,10-11H,8-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine?
3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine has a molecular weight of 201.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(1-methyl-2-prop-1-ynylcyclopropyl)-4H-pyridine is sourced from PubChem (CID 123575679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).