1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium

C15H28N+ — CID 58252612

IUPAC1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium
SMILESCC1(C)C2CCC1(C)C([N+]1(C)CCCC1)C2
InChIInChI=1S/C15H28N/c1-14(2)12-7-8-15(14,3)13(11-12)16(4)9-5-6-10-16/h12-13H,5-11H2,1-4H3/q+1
InChIKeyPQWQLCXJBZDHDB-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.44
Rot. Bonds1

About 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium

1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium (PubChem CID 58252612) has the molecular formula C15H28N+ and a molecular weight of 222.40 g/mol. Its IUPAC name is 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium
PubChem CID58252612
Molecular FormulaC15H28N+
Molecular Weight222.40 g/mol
Exact Mass222.22
IUPAC Name1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium
SMILESCC1(C)C2CCC1(C)C([N+]1(C)CCCC1)C2
InChIInChI=1S/C15H28N/c1-14(2)12-7-8-15(14,3)13(11-12)16(4)9-5-6-10-16/h12-13H,5-11H2,1-4H3/q+1
InChIKeyPQWQLCXJBZDHDB-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
CID 23135836
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
CID 59880501

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium?
The IUPAC name of 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium (CID 58252612) is 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium.
What is the SMILES notation for 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium?
The canonical SMILES for 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium is CC1(C)C2CCC1(C)C([N+]1(C)CCCC1)C2.
What is the InChIKey of 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium?
The InChIKey is PQWQLCXJBZDHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N/c1-14(2)12-7-8-15(14,3)13(11-12)16(4)9-5-6-10-16/h12-13H,5-11H2,1-4H3/q+1.
What are the key properties of 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium?
1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium has a molecular weight of 222.40 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium is sourced from PubChem (CID 58252612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).