O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane

C10H20N2O — CID 176556864

IUPACO-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane
SMILESC=C/C(ON)=C(N)\C(C)=C/C.CC
InChIInChI=1S/C8H14N2O.C2H6/c1-4-6(3)8(9)7(5-2)11-10;1-2/h4-5H,2,9-10H2,1,3H3;1-2H3/b6-4-,8-7-;
InChIKeyYBNPJLXDZGCFEQ-VSZQJPAFSA-N
MW184.28 g/mol
LogP2.23
Rot. Bonds3

About O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane

O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane (PubChem CID 176556864) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane.

Molecular Properties

Compound NameO-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane
PubChem CID176556864
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameO-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane
SMILESC=C/C(ON)=C(N)\C(C)=C/C.CC
InChIInChI=1S/C8H14N2O.C2H6/c1-4-6(3)8(9)7(5-2)11-10;1-2/h4-5H,2,9-10H2,1,3H3;1-2H3/b6-4-,8-7-;
InChIKeyYBNPJLXDZGCFEQ-VSZQJPAFSA-N
XLogP2.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.23
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,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane?
The IUPAC name of O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane (CID 176556864) is O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane.
What is the SMILES notation for O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane?
The canonical SMILES for O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane is C=C/C(ON)=C(N)\C(C)=C/C.CC.
What is the InChIKey of O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane?
The InChIKey is YBNPJLXDZGCFEQ-VSZQJPAFSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c1-4-6(3)8(9)7(5-2)11-10;1-2/h4-5H,2,9-10H2,1,3H3;1-2H3/b6-4-,8-7-;.
What are the key properties of O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane?
O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane has a molecular weight of 184.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]hydroxylamine;ethane is sourced from PubChem (CID 176556864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).