(NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine

C17H30N2O2 — CID 21417429

IUPAC(NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1CCCCCCCCCC\C=C\1N1CCOCC1
InChIInChI=1S/C17H30N2O2/c20-18-16-10-8-6-4-2-1-3-5-7-9-11-17(16)19-12-14-21-15-13-19/h11,20H,1-10,12-15H2/b17-11-,18-16+
InChIKeyWMNCYDDTBGNZSF-FWBCWGBVSA-N
MW294.44 g/mol
LogP3.95
Rot. Bonds1

About (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine

(NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine (PubChem CID 21417429) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine
PubChem CID21417429
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1CCCCCCCCCC\C=C\1N1CCOCC1
InChIInChI=1S/C17H30N2O2/c20-18-16-10-8-6-4-2-1-3-5-7-9-11-17(16)19-12-14-21-15-13-19/h11,20H,1-10,12-15H2/b17-11-,18-16+
InChIKeyWMNCYDDTBGNZSF-FWBCWGBVSA-N
XLogP3.95
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine (CID 21417429) is (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine is O/N=C1CCCCCCCCCC\C=C\1N1CCOCC1.
What is the InChIKey of (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine?
The InChIKey is WMNCYDDTBGNZSF-FWBCWGBVSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-18-16-10-8-6-4-2-1-3-5-7-9-11-17(16)19-12-14-21-15-13-19/h11,20H,1-10,12-15H2/b17-11-,18-16+.
What are the key properties of (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine?
(NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine has a molecular weight of 294.44 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-2-morpholin-4-ylcyclotridec-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 21417429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).