15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine

C26H44N2 — CID 85208093

IUPAC15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
SMILESCC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C
InChIInChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3
InChIKeyJLRWQHLWCXUJEL-UHFFFAOYSA-N
MW384.65 g/mol
LogP5.79
Rot. Bonds2

About 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine

15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine (PubChem CID 85208093) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine.

Molecular Properties

Compound Name15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
PubChem CID85208093
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Name15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
SMILESCC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C
InChIInChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3
InChIKeyJLRWQHLWCXUJEL-UHFFFAOYSA-N
XLogP5.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine?
The IUPAC name of 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine (CID 85208093) is 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine.
What is the SMILES notation for 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine?
The canonical SMILES for 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine is CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N)C4(C)C)N(C)C.
What is the InChIKey of 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine?
The InChIKey is JLRWQHLWCXUJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2/c1-17(28(6)7)20-13-15-26(5)22-10-9-21-18(8-11-23(27)24(21,2)3)16-19(22)12-14-25(20,26)4/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3.
What are the key properties of 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine?
15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine has a molecular weight of 384.65 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine is sourced from PubChem (CID 85208093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).