(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine

C15H22N2O2 — CID 5489436

IUPAC(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
SMILESC=CCc1ccccc1OC/C(CNC(C)C)=N/O
InChIInChI=1S/C15H22N2O2/c1-4-7-13-8-5-6-9-15(13)19-11-14(17-18)10-16-12(2)3/h4-6,8-9,12,16,18H,1,7,10-11H2,2-3H3/b17-14+
InChIKeyXFQFSSGNEFUEPA-SAPNQHFASA-N
MW262.35 g/mol
LogP2.62
Rot. Bonds8

About (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine (PubChem CID 5489436) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
PubChem CID5489436
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
SMILESC=CCc1ccccc1OC/C(CNC(C)C)=N/O
InChIInChI=1S/C15H22N2O2/c1-4-7-13-8-5-6-9-15(13)19-11-14(17-18)10-16-12(2)3/h4-6,8-9,12,16,18H,1,7,10-11H2,2-3H3/b17-14+
InChIKeyXFQFSSGNEFUEPA-SAPNQHFASA-N
XLogP2.62
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine
CID 551707
[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl] nitrate
CID 11565574
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
1-(2-prop-2-enylphenoxy)pentan-2-one
CID 62044058
N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
CID 103228640

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine (CID 5489436) is (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine is C=CCc1ccccc1OC/C(CNC(C)C)=N/O.
What is the InChIKey of (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine?
The InChIKey is XFQFSSGNEFUEPA-SAPNQHFASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-7-13-8-5-6-9-15(13)19-11-14(17-18)10-16-12(2)3/h4-6,8-9,12,16,18H,1,7,10-11H2,2-3H3/b17-14+.
What are the key properties of (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine has a molecular weight of 262.35 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 5489436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).