methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride

C25H48ClN — CID 175225393

IUPACmethyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride
SMILESC=C1C2CCC3C2C(C)(C)CCCC13C.CCC[N+](C)(CCC)CCC.[Cl-]
InChIInChI=1S/C15H24.C10H24N.ClH/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4;1-5-8-11(4,9-6-2)10-7-3;/h11-13H,1,5-9H2,2-4H3;5-10H2,1-4H3;1H/q;+1;/p-1
InChIKeyPXDQMDPMTDNYQR-UHFFFAOYSA-M
MW398.12 g/mol
LogP4.08
Rot. Bonds6

About methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride

methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride (PubChem CID 175225393) has the molecular formula C25H48ClN and a molecular weight of 398.12 g/mol. Its IUPAC name is methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride.

Molecular Properties

Compound Namemethyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride
PubChem CID175225393
Molecular FormulaC25H48ClN
Molecular Weight398.12 g/mol
Exact Mass397.35
IUPAC Namemethyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride
SMILESC=C1C2CCC3C2C(C)(C)CCCC13C.CCC[N+](C)(CCC)CCC.[Cl-]
InChIInChI=1S/C15H24.C10H24N.ClH/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4;1-5-8-11(4,9-6-2)10-7-3;/h11-13H,1,5-9H2,2-4H3;5-10H2,1-4H3;1H/q;+1;/p-1
InChIKeyPXDQMDPMTDNYQR-UHFFFAOYSA-M
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride?
The IUPAC name of methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride (CID 175225393) is methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride.
What is the SMILES notation for methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride?
The canonical SMILES for methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride is C=C1C2CCC3C2C(C)(C)CCCC13C.CCC[N+](C)(CCC)CCC.[Cl-].
What is the InChIKey of methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride?
The InChIKey is PXDQMDPMTDNYQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24.C10H24N.ClH/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4;1-5-8-11(4,9-6-2)10-7-3;/h11-13H,1,5-9H2,2-4H3;5-10H2,1-4H3;1H/q;+1;/p-1.
What are the key properties of methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride?
methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride has a molecular weight of 398.12 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride is sourced from PubChem (CID 175225393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).