O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene

C18H34N2O — CID 144743228

IUPACO-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene
SMILESC=C(C)/C(C)=C(/C)C(C)C.C=C(N)/C=C(\ON)C(C)(C)C
InChIInChI=1S/C10H18.C8H16N2O/c1-7(2)9(5)10(6)8(3)4;1-6(9)5-7(11-10)8(2,3)4/h8H,1H2,2-6H3;5H,1,9-10H2,2-4H3/b10-9-;7-5-
InChIKeyBNWUJPOVRHZMSZ-PWUSJTHGSA-N
MW294.48 g/mol
LogP4.83
Rot. Bonds4

About O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene

O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene (PubChem CID 144743228) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene.

Molecular Properties

Compound NameO-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene
PubChem CID144743228
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameO-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene
SMILESC=C(C)/C(C)=C(/C)C(C)C.C=C(N)/C=C(\ON)C(C)(C)C
InChIInChI=1S/C10H18.C8H16N2O/c1-7(2)9(5)10(6)8(3)4;1-6(9)5-7(11-10)8(2,3)4/h8H,1H2,2-6H3;5H,1,9-10H2,2-4H3/b10-9-;7-5-
InChIKeyBNWUJPOVRHZMSZ-PWUSJTHGSA-N
XLogP4.83
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene?
The IUPAC name of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene (CID 144743228) is O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene.
What is the SMILES notation for O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene?
The canonical SMILES for O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene is C=C(C)/C(C)=C(/C)C(C)C.C=C(N)/C=C(\ON)C(C)(C)C.
What is the InChIKey of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene?
The InChIKey is BNWUJPOVRHZMSZ-PWUSJTHGSA-N. The full InChI is InChI=1S/C10H18.C8H16N2O/c1-7(2)9(5)10(6)8(3)4;1-6(9)5-7(11-10)8(2,3)4/h8H,1H2,2-6H3;5H,1,9-10H2,2-4H3/b10-9-;7-5-.
What are the key properties of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene?
O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene has a molecular weight of 294.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine;(3Z)-2,3,4,5-tetramethylhexa-1,3-diene is sourced from PubChem (CID 144743228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).