1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]

C19H29N — CID 25122204

IUPAC1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
SMILESCC1CN(C)C2(C1)C1CC3C4CC5CC3C2C(C5)C4C1
InChIInChI=1S/C19H29N/c1-10-8-19(20(2)9-10)12-6-14-13-3-11-4-16(14)18(19)17(5-11)15(13)7-12/h10-18H,3-9H2,1-2H3
InChIKeyCVALBODJPPEKDS-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.64
Rot. Bonds

About 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]

1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] (PubChem CID 25122204) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine].

Molecular Properties

Compound Name1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
PubChem CID25122204
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
SMILESCC1CN(C)C2(C1)C1CC3C4CC5CC3C2C(C5)C4C1
InChIInChI=1S/C19H29N/c1-10-8-19(20(2)9-10)12-6-14-13-3-11-4-16(14)18(19)17(5-11)15(13)7-12/h10-18H,3-9H2,1-2H3
InChIKeyCVALBODJPPEKDS-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
The IUPAC name of 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] (CID 25122204) is 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine].
What is the SMILES notation for 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
The canonical SMILES for 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] is CC1CN(C)C2(C1)C1CC3C4CC5CC3C2C(C5)C4C1.
What is the InChIKey of 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
The InChIKey is CVALBODJPPEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-10-8-19(20(2)9-10)12-6-14-13-3-11-4-16(14)18(19)17(5-11)15(13)7-12/h10-18H,3-9H2,1-2H3.
What are the key properties of 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] has a molecular weight of 271.45 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] is sourced from PubChem (CID 25122204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).