1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium

C9H16N+ — CID 90746991

IUPAC1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium
SMILESC=[N+]1CCC=CC1C(C)C
InChIInChI=1S/C9H16N/c1-8(2)9-6-4-5-7-10(9)3/h4,6,8-9H,3,5,7H2,1-2H3/q+1
InChIKeyVOBMQVXVUCAZRR-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.68
Rot. Bonds1

About 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium

1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium (PubChem CID 90746991) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium
PubChem CID90746991
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium
SMILESC=[N+]1CCC=CC1C(C)C
InChIInChI=1S/C9H16N/c1-8(2)9-6-4-5-7-10(9)3/h4,6,8-9H,3,5,7H2,1-2H3/q+1
InChIKeyVOBMQVXVUCAZRR-UHFFFAOYSA-N
XLogP1.68
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
CID 146200231
2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine
CID 155933595
(Z)-N,7-dimethyl-N-propan-2-yloct-4-en-1-amine
CID 57689223
1,2,3-trimethyl-3,6-dihydro-2H-pyridine
CID 58293708
1,2,3-Trimethyl-2,3,6,7-tetrahydroazepine
CID 58293724
1-Tert-butyl-2-propan-2-yl-2,5-dihydropyrrole
CID 58403884
1,2-Di(propan-2-yl)-2,5-dihydropyrrole
CID 58778697
(Z)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine
CID 59059950
(E)-N,5-dimethyl-N-propan-2-ylhex-2-en-1-amine
CID 59059957
(2R)-1,2-di(propan-2-yl)-2,5-dihydropyrrole
CID 59404840
1,2-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 59559392

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium?
The IUPAC name of 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium (CID 90746991) is 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium?
The canonical SMILES for 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium is C=[N+]1CCC=CC1C(C)C.
What is the InChIKey of 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium?
The InChIKey is VOBMQVXVUCAZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-8(2)9-6-4-5-7-10(9)3/h4,6,8-9H,3,5,7H2,1-2H3/q+1.
What are the key properties of 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium?
1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium is sourced from PubChem (CID 90746991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).