N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine

C11H23NO — CID 129017215

IUPACN-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine
SMILESC=CC(C)(C)C[C@@H](C)CCN(C)O
InChIInChI=1S/C11H23NO/c1-6-11(3,4)9-10(2)7-8-12(5)13/h6,10,13H,1,7-9H2,2-5H3/t10-/m0/s1
InChIKeyNNZYEJNOLQMMOT-JTQLQIEISA-N
MW185.31 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine

N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine (PubChem CID 129017215) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine
PubChem CID129017215
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine
SMILESC=CC(C)(C)C[C@@H](C)CCN(C)O
InChIInChI=1S/C11H23NO/c1-6-11(3,4)9-10(2)7-8-12(5)13/h6,10,13H,1,7-9H2,2-5H3/t10-/m0/s1
InChIKeyNNZYEJNOLQMMOT-JTQLQIEISA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]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-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine?
The IUPAC name of N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine (CID 129017215) is N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine is C=CC(C)(C)C[C@@H](C)CCN(C)O.
What is the InChIKey of N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine?
The InChIKey is NNZYEJNOLQMMOT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO/c1-6-11(3,4)9-10(2)7-8-12(5)13/h6,10,13H,1,7-9H2,2-5H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine?
N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine has a molecular weight of 185.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-3,5,5-trimethylhept-6-enyl]hydroxylamine is sourced from PubChem (CID 129017215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).