N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine

C16H21NO — CID 88829456

IUPACN-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine
SMILESC=CCc1cc(CC=C)c(CNO)c(CC=C)c1
InChIInChI=1S/C16H21NO/c1-4-7-13-10-14(8-5-2)16(12-17-18)15(11-13)9-6-3/h4-6,10-11,17-18H,1-3,7-9,12H2
InChIKeyLIQYGQWBMZRZJR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.35
Rot. Bonds8

About N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine

N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine (PubChem CID 88829456) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine
PubChem CID88829456
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine
SMILESC=CCc1cc(CC=C)c(CNO)c(CC=C)c1
InChIInChI=1S/C16H21NO/c1-4-7-13-10-14(8-5-2)16(12-17-18)15(11-13)9-6-3/h4-6,10-11,17-18H,1-3,7-9,12H2
InChIKeyLIQYGQWBMZRZJR-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.35
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'}

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Related Compounds

3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677
4-[2,4,6-tris(prop-2-enyl)phenyl]phenol
CID 70152198
4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984859
2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
CID 22065451
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
CID 70573204
2,4-bis(prop-2-enyl)aniline
CID 67154427
2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline
CID 174853050
3,4,5-tris(prop-2-enyl)benzoic acid
CID 69493065
4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline
CID 66694747

Frequently Asked Questions

What is the IUPAC name of N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine (CID 88829456) is N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine is C=CCc1cc(CC=C)c(CNO)c(CC=C)c1.
What is the InChIKey of N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine?
The InChIKey is LIQYGQWBMZRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-7-13-10-14(8-5-2)16(12-17-18)15(11-13)9-6-3/h4-6,10-11,17-18H,1-3,7-9,12H2.
What are the key properties of N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine?
N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine has a molecular weight of 243.35 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 88829456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).