copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane

C17H34CuN4-4 — CID 153490885

IUPACcopper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane
SMILESCC1C[N-]C(C)(C)C[C@H](C)[N-]CC[N-]C(C)(C)C[C@H](C)[N-]1.[64Cu]
InChIInChI=1S/C17H34N4.Cu/c1-13-10-17(6,7)20-12-15(3)21-14(2)11-16(4,5)19-9-8-18-13;/h13-15H,8-12H2,1-7H3;/q-4;/t13-,14-,15?;/m0./s1/i;1+0
InChIKeyRNMCEZRCVPJYGB-LLMPGSTISA-N
MW358.42 g/mol
LogP5.00
Rot. Bonds

About copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane

copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane (PubChem CID 153490885) has the molecular formula C17H34CuN4-4 and a molecular weight of 358.42 g/mol. Its IUPAC name is copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane.

Molecular Properties

Compound Namecopper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane
PubChem CID153490885
Molecular FormulaC17H34CuN4-4
Molecular Weight358.42 g/mol
Exact Mass358.21
IUPAC Namecopper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane
SMILESCC1C[N-]C(C)(C)C[C@H](C)[N-]CC[N-]C(C)(C)C[C@H](C)[N-]1.[64Cu]
InChIInChI=1S/C17H34N4.Cu/c1-13-10-17(6,7)20-12-15(3)21-14(2)11-16(4,5)19-9-8-18-13;/h13-15H,8-12H2,1-7H3;/q-4;/t13-,14-,15?;/m0./s1/i;1+0
InChIKeyRNMCEZRCVPJYGB-LLMPGSTISA-N
XLogP5.00
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane?
The IUPAC name of copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane (CID 153490885) is copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane.
What is the SMILES notation for copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane?
The canonical SMILES for copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane is CC1C[N-]C(C)(C)C[C@H](C)[N-]CC[N-]C(C)(C)C[C@H](C)[N-]1.[64Cu].
What is the InChIKey of copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane?
The InChIKey is RNMCEZRCVPJYGB-LLMPGSTISA-N. The full InChI is InChI=1S/C17H34N4.Cu/c1-13-10-17(6,7)20-12-15(3)21-14(2)11-16(4,5)19-9-8-18-13;/h13-15H,8-12H2,1-7H3;/q-4;/t13-,14-,15?;/m0./s1/i;1+0.
What are the key properties of copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane?
copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane has a molecular weight of 358.42 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper-64;trans-(7S,14S)-2,5,5,7,12,12,14-heptamethyl-1,4,8,11-tetrazanidacyclotetradecane is sourced from PubChem (CID 153490885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).