N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine

C10H21NO2 — CID 163887723

IUPACN-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine
SMILESCCO/C=C/CCCCCN(C)O
InChIInChI=1S/C10H21NO2/c1-3-13-10-8-6-4-5-7-9-11(2)12/h8,10,12H,3-7,9H2,1-2H3/b10-8+
InChIKeyPYWCQGPVSDMQNL-CSKARUKUSA-N
MW187.28 g/mol
LogP2.42
Rot. Bonds8

About N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine

N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine (PubChem CID 163887723) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine
PubChem CID163887723
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine
SMILESCCO/C=C/CCCCCN(C)O
InChIInChI=1S/C10H21NO2/c1-3-13-10-8-6-4-5-7-9-11(2)12/h8,10,12H,3-7,9H2,1-2H3/b10-8+
InChIKeyPYWCQGPVSDMQNL-CSKARUKUSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
(E)-5-ethoxypent-4-en-1-ol
CID 18436659
1-ethoxyhex-1-ene
CID 53422434
(Z)-1-ethoxypent-1-ene
CID 12512190
N-methyl-N-nonadecylhydroxylamine
CID 87390757
3-ethoxy-N,N-dimethylprop-2-en-1-amine
CID 138108716
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
3-octadec-1-enoxypropan-1-ol
CID 552588
1-hydroperoxyundec-1-ene
CID 140553152
1-non-2-enoxynon-1-ene
CID 151686725

Frequently Asked Questions

What is the IUPAC name of N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine?
The IUPAC name of N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine (CID 163887723) is N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine is CCO/C=C/CCCCCN(C)O.
What is the InChIKey of N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine?
The InChIKey is PYWCQGPVSDMQNL-CSKARUKUSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-13-10-8-6-4-5-7-9-11(2)12/h8,10,12H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine?
N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine has a molecular weight of 187.28 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine is sourced from PubChem (CID 163887723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).