(NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine

C26H42N2O — CID 139380730

About (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine

(NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine (PubChem CID 139380730) has the molecular formula C26H42N2O and a molecular weight of 398.64 g/mol. Its IUPAC name is (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine
• PubChem CID: 139380730
• Molecular Formula: C26H42N2O
• Molecular Weight: 398.64 g/mol
• Exact Mass: 398.33
• IUPAC Name: (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine
• SMILES: C/C(=N/O)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C
• InChI: InChI=1S/C26H42N2O/c1-17(27-29)18-10-12-24(5)20-9-8-19-22(2,3)21(28(6)7)11-13-25(19)16-26(20,25)15-14-23(18,24)4/h10,19-21,29H,8-9,11-16H2,1-7H3/b27-17-/t19-,20-,21-,23+,24-,25+,26-/m0/s1
• InChIKey: ZLHPKULZTWFHBC-AOPNOBLVSA-N
• XLogP: 6.13
• TPSA: 35.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.64
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine?

The IUPAC name of (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine (CID 139380730) is (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine.

What is the SMILES notation for (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine?

The canonical SMILES for (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine is C/C(=N/O)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C.

What is the InChIKey of (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine?

The InChIKey is ZLHPKULZTWFHBC-AOPNOBLVSA-N. The full InChI is InChI=1S/C26H42N2O/c1-17(27-29)18-10-12-24(5)20-9-8-19-22(2,3)21(28(6)7)11-13-25(19)16-26(20,25)15-14-23(18,24)4/h10,19-21,29H,8-9,11-16H2,1-7H3/b27-17-/t19-,20-,21-,23+,24-,25+,26-/m0/s1.

What are the key properties of (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine?

(NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine has a molecular weight of 398.64 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethylidene]hydroxylamine is sourced from PubChem (CID 139380730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).