N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine

C12H20N2O — CID 139911810

IUPACN-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine
SMILESNC1CC/C=C\CC/C=C\CCC1=NO
InChIInChI=1S/C12H20N2O/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14-15/h3-6,11,15H,1-2,7-10,13H2/b5-3-,6-4-,14-12?
InChIKeyCELYELROQITXQB-XUSOLBARSA-N
MW208.31 g/mol
LogP2.61
Rot. Bonds

About N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine

N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine (PubChem CID 139911810) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine
PubChem CID139911810
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine
SMILESNC1CC/C=C\CC/C=C\CCC1=NO
InChIInChI=1S/C12H20N2O/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14-15/h3-6,11,15H,1-2,7-10,13H2/b5-3-,6-4-,14-12?
InChIKeyCELYELROQITXQB-XUSOLBARSA-N
XLogP2.61
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine?
The IUPAC name of N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine (CID 139911810) is N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine?
The canonical SMILES for N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine is NC1CC/C=C\CC/C=C\CCC1=NO.
What is the InChIKey of N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine?
The InChIKey is CELYELROQITXQB-XUSOLBARSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14-15/h3-6,11,15H,1-2,7-10,13H2/b5-3-,6-4-,14-12?.
What are the key properties of N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine?
N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine has a molecular weight of 208.31 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine is sourced from PubChem (CID 139911810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).