1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine

C20H21N — CID 13069096

IUPAC1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine
SMILESc1ccc2c(c1)C1CC2(CNCC2CC2)c2ccccc21
InChIInChI=1S/C20H21N/c1-3-7-18-15(5-1)17-11-20(18,13-21-12-14-9-10-14)19-8-4-2-6-16(17)19/h1-8,14,17,21H,9-13H2
InChIKeyIUDKEFQKKWSHIZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.82
Rot. Bonds4

About 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine

1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine (PubChem CID 13069096) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine
PubChem CID13069096
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine
SMILESc1ccc2c(c1)C1CC2(CNCC2CC2)c2ccccc21
InChIInChI=1S/C20H21N/c1-3-7-18-15(5-1)17-11-20(18,13-21-12-14-9-10-14)19-8-4-2-6-16(17)19/h1-8,14,17,21H,9-13H2
InChIKeyIUDKEFQKKWSHIZ-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine (CID 13069096) is 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine is c1ccc2c(c1)C1CC2(CNCC2CC2)c2ccccc21.
What is the InChIKey of 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine?
The InChIKey is IUDKEFQKKWSHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-3-7-18-15(5-1)17-11-20(18,13-21-12-14-9-10-14)19-8-4-2-6-16(17)19/h1-8,14,17,21H,9-13H2.
What are the key properties of 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine?
1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)methanamine is sourced from PubChem (CID 13069096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).