N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine

C12H16N2O — CID 170495845

IUPACN-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine
SMILESCNCCC=Cc1ccccc1C=NO
InChIInChI=1S/C12H16N2O/c1-13-9-5-4-7-11-6-2-3-8-12(11)10-14-15/h2-4,6-8,10,13,15H,5,9H2,1H3
InChIKeyQFOZBBSNRAKBID-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.12
Rot. Bonds5

About N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine

N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine (PubChem CID 170495845) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine
PubChem CID170495845
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine
SMILESCNCCC=Cc1ccccc1C=NO
InChIInChI=1S/C12H16N2O/c1-13-9-5-4-7-11-6-2-3-8-12(11)10-14-15/h2-4,6-8,10,13,15H,5,9H2,1H3
InChIKeyQFOZBBSNRAKBID-UHFFFAOYSA-N
XLogP2.12
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine
CID 170499230
N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine
CID 170497535
(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 15033296
2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495366
4-(2-isocyanatophenyl)-N-methylbut-3-en-1-amine
CID 170495852
4-[4-(methylamino)but-1-enyl]naphthalen-1-ol
CID 170496452
3-[2-(hydroxyiminomethyl)phenyl]prop-2-enal
CID 169459162
4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495257
N-methyl-4-[2-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170496226
(E)-4-(2-fluoro-3-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 82811076
(E)-4-(2,3-difluoro-4-methylphenyl)-N-methylbut-3-en-1-amine
CID 107514676
3-[4-(methylamino)but-1-enyl]benzenecarbothioamide
CID 170495747

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine (CID 170495845) is N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine is CNCCC=Cc1ccccc1C=NO.
What is the InChIKey of N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine?
The InChIKey is QFOZBBSNRAKBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-9-5-4-7-11-6-2-3-8-12(11)10-14-15/h2-4,6-8,10,13,15H,5,9H2,1H3.
What are the key properties of N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine?
N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 170495845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).