(NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine

C27H45NO — CID 134437947

IUPAC(NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine
SMILESCC1CCC2(C)C(CC=C3C4C(C)CCCC4(C)CCC32)CCC/C(=N/O)C1C
InChIInChI=1S/C27H45NO/c1-18-13-17-27(5)21(9-6-10-24(28-29)20(18)3)11-12-22-23(27)14-16-26(4)15-7-8-19(2)25(22)26/h12,18-21,23,25,29H,6-11,13-17H2,1-5H3/b28-24-
InChIKeyDVBXTQMGYJJGDX-COOPMVRXSA-N
MW399.66 g/mol
LogP7.86
Rot. Bonds

About (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine

(NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine (PubChem CID 134437947) has the molecular formula C27H45NO and a molecular weight of 399.66 g/mol. Its IUPAC name is (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine
PubChem CID134437947
Molecular FormulaC27H45NO
Molecular Weight399.66 g/mol
Exact Mass399.35
IUPAC Name(NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine
SMILESCC1CCC2(C)C(CC=C3C4C(C)CCCC4(C)CCC32)CCC/C(=N/O)C1C
InChIInChI=1S/C27H45NO/c1-18-13-17-27(5)21(9-6-10-24(28-29)20(18)3)11-12-22-23(27)14-16-26(4)15-7-8-19(2)25(22)26/h12,18-21,23,25,29H,6-11,13-17H2,1-5H3/b28-24-
InChIKeyDVBXTQMGYJJGDX-COOPMVRXSA-N
XLogP7.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine (CID 134437947) is (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine is CC1CCC2(C)C(CC=C3C4C(C)CCCC4(C)CCC32)CCC/C(=N/O)C1C.
What is the InChIKey of (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine?
The InChIKey is DVBXTQMGYJJGDX-COOPMVRXSA-N. The full InChI is InChI=1S/C27H45NO/c1-18-13-17-27(5)21(9-6-10-24(28-29)20(18)3)11-12-22-23(27)14-16-26(4)15-7-8-19(2)25(22)26/h12,18-21,23,25,29H,6-11,13-17H2,1-5H3/b28-24-.
What are the key properties of (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine?
(NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine has a molecular weight of 399.66 g/mol, XLogP of 7.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,5,9,19,20-pentamethyl-18-tetracyclo[12.8.0.02,11.05,10]docos-11-enylidene)hydroxylamine is sourced from PubChem (CID 134437947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).