N-oxido-N-(2-phenylethyl)prop-2-en-1-amine

C11H14NO- — CID 87692566

IUPACN-oxido-N-(2-phenylethyl)prop-2-en-1-amine
SMILESC=CCN([O-])CCc1ccccc1
InChIInChI=1S/C11H14NO/c1-2-9-12(13)10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2/q-1
InChIKeyIRJWDVOYLBLIPE-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.21
Rot. Bonds5

About N-oxido-N-(2-phenylethyl)prop-2-en-1-amine

N-oxido-N-(2-phenylethyl)prop-2-en-1-amine (PubChem CID 87692566) has the molecular formula C11H14NO- and a molecular weight of 176.24 g/mol. Its IUPAC name is N-oxido-N-(2-phenylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-oxido-N-(2-phenylethyl)prop-2-en-1-amine
PubChem CID87692566
Molecular FormulaC11H14NO-
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC NameN-oxido-N-(2-phenylethyl)prop-2-en-1-amine
SMILESC=CCN([O-])CCc1ccccc1
InChIInChI=1S/C11H14NO/c1-2-9-12(13)10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2/q-1
InChIKeyIRJWDVOYLBLIPE-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
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'}

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Related Compounds

N,N-diamino-2-phenylethanamine
CID 18409381
N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
CID 138435785
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
N-oxido-N-(2-phenylethyl)icosan-1-amine
CID 122612786
N-oxido-N-(2-phenylethyl)decan-1-amine
CID 122612017
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
but-3-enylbenzene;silver
CID 174999453
N-ethenyl-N-(2-phenylethyl)formamide
CID 11206078
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-(2-phenylethyl)prop-2-en-1-amine?
The IUPAC name of N-oxido-N-(2-phenylethyl)prop-2-en-1-amine (CID 87692566) is N-oxido-N-(2-phenylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-oxido-N-(2-phenylethyl)prop-2-en-1-amine?
The canonical SMILES for N-oxido-N-(2-phenylethyl)prop-2-en-1-amine is C=CCN([O-])CCc1ccccc1.
What is the InChIKey of N-oxido-N-(2-phenylethyl)prop-2-en-1-amine?
The InChIKey is IRJWDVOYLBLIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO/c1-2-9-12(13)10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2/q-1.
What are the key properties of N-oxido-N-(2-phenylethyl)prop-2-en-1-amine?
N-oxido-N-(2-phenylethyl)prop-2-en-1-amine has a molecular weight of 176.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-(2-phenylethyl)prop-2-en-1-amine is sourced from PubChem (CID 87692566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).