3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine

C12H19N3O — CID 168529091

IUPAC3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(C=NN)c1
InChIInChI=1S/C12H19N3O/c1-15(2)7-4-8-16-12-6-3-5-11(9-12)10-14-13/h3,5-6,9-10H,4,7-8,13H2,1-2H3
InChIKeyXQCWXJZRXIOTLJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.31
Rot. Bonds6

About 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine

3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine (PubChem CID 168529091) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine
PubChem CID168529091
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(C=NN)c1
InChIInChI=1S/C12H19N3O/c1-15(2)7-4-8-16-12-6-3-5-11(9-12)10-14-13/h3,5-6,9-10H,4,7-8,13H2,1-2H3
InChIKeyXQCWXJZRXIOTLJ-UHFFFAOYSA-N
XLogP1.31
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylamino)butoxy]benzaldehyde
CID 50874377
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
N-[[3-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617096
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
[3-(2-piperidin-1-ylethoxy)phenyl]methylidenehydrazine
CID 168530376
[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine
CID 168530644
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
N-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]methanamine
CID 110340427
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
1-(3-methanehydrazonoylphenyl)-N,N-dimethylmethanamine
CID 168530014
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782

Frequently Asked Questions

What is the IUPAC name of 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine (CID 168529091) is 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cccc(C=NN)c1.
What is the InChIKey of 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine?
The InChIKey is XQCWXJZRXIOTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(2)7-4-8-16-12-6-3-5-11(9-12)10-14-13/h3,5-6,9-10H,4,7-8,13H2,1-2H3.
What are the key properties of 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine?
3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 168529091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).