O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine

C13H23N3O — CID 89125531

IUPACO-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine
SMILESC=C1C(NCCCCCC)=CCC/C1=N/ON
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-10-15-12-8-7-9-13(11(12)2)16-17-14/h8,15H,2-7,9-10,14H2,1H3/b16-13-
InChIKeyBIOROOTZJCNGGY-SSZFMOIBSA-N
MW237.35 g/mol
LogP2.64
Rot. Bonds7

About O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine

O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine (PubChem CID 89125531) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine.

Molecular Properties

Compound NameO-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine
PubChem CID89125531
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameO-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine
SMILESC=C1C(NCCCCCC)=CCC/C1=N/ON
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-10-15-12-8-7-9-13(11(12)2)16-17-14/h8,15H,2-7,9-10,14H2,1H3/b16-13-
InChIKeyBIOROOTZJCNGGY-SSZFMOIBSA-N
XLogP2.64
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_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 O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine?
The IUPAC name of O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine (CID 89125531) is O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine.
What is the SMILES notation for O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine?
The canonical SMILES for O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine is C=C1C(NCCCCCC)=CCC/C1=N/ON.
What is the InChIKey of O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine?
The InChIKey is BIOROOTZJCNGGY-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-6-10-15-12-8-7-9-13(11(12)2)16-17-14/h8,15H,2-7,9-10,14H2,1H3/b16-13-.
What are the key properties of O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine?
O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine has a molecular weight of 237.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine is sourced from PubChem (CID 89125531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).