O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine

C12H25NO — CID 167246116

IUPACO-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine
SMILESCCC(C)/C(=C(\ON)C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-10(6)11(8(2)3)12(14-13)9(4)5/h8-10H,7,13H2,1-6H3/b12-11-
InChIKeyPJRIYCCFMUJKFI-QXMHVHEDSA-N
MW199.34 g/mol
LogP3.49
Rot. Bonds5

About O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine

O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine (PubChem CID 167246116) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine
PubChem CID167246116
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameO-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine
SMILESCCC(C)/C(=C(\ON)C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-10(6)11(8(2)3)12(14-13)9(4)5/h8-10H,7,13H2,1-6H3/b12-11-
InChIKeyPJRIYCCFMUJKFI-QXMHVHEDSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine?
The IUPAC name of O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine (CID 167246116) is O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine.
What is the SMILES notation for O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine?
The canonical SMILES for O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine is CCC(C)/C(=C(\ON)C(C)C)C(C)C.
What is the InChIKey of O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine?
The InChIKey is PJRIYCCFMUJKFI-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-10(6)11(8(2)3)12(14-13)9(4)5/h8-10H,7,13H2,1-6H3/b12-11-.
What are the key properties of O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine?
O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine has a molecular weight of 199.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine is sourced from PubChem (CID 167246116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).