(NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine

C23H39NO — CID 71735790

IUPAC(NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=N/O
InChIInChI=1S/C23H39NO/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24-25/h11,13,15,17,25H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+,24-23+
InChIKeyQIFZSZQGRIDXRQ-YQCHTKHWSA-N
MW345.57 g/mol
LogP7.76
Rot. Bonds12

About (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine

(NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine (PubChem CID 71735790) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine
PubChem CID71735790
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC Name(NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=N/O
InChIInChI=1S/C23H39NO/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24-25/h11,13,15,17,25H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+,24-23+
InChIKeyQIFZSZQGRIDXRQ-YQCHTKHWSA-N
XLogP7.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 57.76
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 (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine (CID 71735790) is (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=N/O.
What is the InChIKey of (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine?
The InChIKey is QIFZSZQGRIDXRQ-YQCHTKHWSA-N. The full InChI is InChI=1S/C23H39NO/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24-25/h11,13,15,17,25H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+,24-23+.
What are the key properties of (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine?
(NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine has a molecular weight of 345.57 g/mol, XLogP of 7.76, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-ylidene]hydroxylamine is sourced from PubChem (CID 71735790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).