N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine

C9H19NO — CID 144743227

IUPACN-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine
SMILESC/C(=C\C(C)NO)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(9(3,4)5)6-8(2)10-11/h6,8,10-11H,1-5H3/b7-6+
InChIKeyMOYOGFVEUSZSEL-VOTSOKGWSA-N
MW157.26 g/mol
LogP2.35
Rot. Bonds2

About N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine

N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine (PubChem CID 144743227) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine
PubChem CID144743227
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine
SMILESC/C(=C\C(C)NO)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(9(3,4)5)6-8(2)10-11/h6,8,10-11H,1-5H3/b7-6+
InChIKeyMOYOGFVEUSZSEL-VOTSOKGWSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine?
The IUPAC name of N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine (CID 144743227) is N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine?
The canonical SMILES for N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine is C/C(=C\C(C)NO)C(C)(C)C.
What is the InChIKey of N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine?
The InChIKey is MOYOGFVEUSZSEL-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(9(3,4)5)6-8(2)10-11/h6,8,10-11H,1-5H3/b7-6+.
What are the key properties of N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine?
N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine has a molecular weight of 157.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,5,5-trimethylhex-3-en-2-yl]hydroxylamine is sourced from PubChem (CID 144743227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).