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

C18H27N — CID 59848681

IUPAC1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
SMILESCN1CCCC12C1CC3C4CC5CC3C2C(C5)C4C1
InChIInChI=1S/C18H27N/c1-19-4-2-3-18(19)11-8-13-12-5-10-6-15(13)17(18)16(7-10)14(12)9-11/h10-17H,2-9H2,1H3
InChIKeyNWEVVPSWZCYLOC-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.40
Rot. Bonds

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

1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] (PubChem CID 59848681) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine].

Molecular Properties

Compound Name1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
PubChem CID59848681
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
SMILESCN1CCCC12C1CC3C4CC5CC3C2C(C5)C4C1
InChIInChI=1S/C18H27N/c1-19-4-2-3-18(19)11-8-13-12-5-10-6-15(13)17(18)16(7-10)14(12)9-11/h10-17H,2-9H2,1H3
InChIKeyNWEVVPSWZCYLOC-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
The IUPAC name of 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] (CID 59848681) is 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine].
What is the SMILES notation for 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
The canonical SMILES for 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] is CN1CCCC12C1CC3C4CC5CC3C2C(C5)C4C1.
What is the InChIKey of 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
The InChIKey is NWEVVPSWZCYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-19-4-2-3-18(19)11-8-13-12-5-10-6-15(13)17(18)16(7-10)14(12)9-11/h10-17H,2-9H2,1H3.
What are the key properties of 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]?
1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] has a molecular weight of 257.42 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine] is sourced from PubChem (CID 59848681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).