N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine

C19H29N — CID 135011462

IUPACN-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine
SMILESCCNCC12C(C)=C(C)C(C3C=CC1C=C3)C(C)C2C
InChIInChI=1S/C19H29N/c1-6-20-11-19-14(4)12(2)18(13(3)15(19)5)16-7-9-17(19)10-8-16/h7-10,12,14,16-18,20H,6,11H2,1-5H3
InChIKeyQALKGGCCRJNZKS-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.19
Rot. Bonds3

About N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine

N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine (PubChem CID 135011462) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine
PubChem CID135011462
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine
SMILESCCNCC12C(C)=C(C)C(C3C=CC1C=C3)C(C)C2C
InChIInChI=1S/C19H29N/c1-6-20-11-19-14(4)12(2)18(13(3)15(19)5)16-7-9-17(19)10-8-16/h7-10,12,14,16-18,20H,6,11H2,1-5H3
InChIKeyQALKGGCCRJNZKS-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine?
The IUPAC name of N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine (CID 135011462) is N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine.
What is the SMILES notation for N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine?
The canonical SMILES for N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine is CCNCC12C(C)=C(C)C(C3C=CC1C=C3)C(C)C2C.
What is the InChIKey of N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine?
The InChIKey is QALKGGCCRJNZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-6-20-11-19-14(4)12(2)18(13(3)15(19)5)16-7-9-17(19)10-8-16/h7-10,12,14,16-18,20H,6,11H2,1-5H3.
What are the key properties of N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine?
N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine is sourced from PubChem (CID 135011462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).