3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline

C16H26N2O — CID 140979271

IUPAC3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline
SMILESC=CCN(C)CCCCCCOc1cccc(N)c1
InChIInChI=1S/C16H26N2O/c1-3-11-18(2)12-6-4-5-7-13-19-16-10-8-9-15(17)14-16/h3,8-10,14H,1,4-7,11-13,17H2,2H3
InChIKeyPMUKQSWOTWFSAI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.33
Rot. Bonds10

About 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline

3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline (PubChem CID 140979271) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline.

Molecular Properties

Compound Name3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline
PubChem CID140979271
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline
SMILESC=CCN(C)CCCCCCOc1cccc(N)c1
InChIInChI=1S/C16H26N2O/c1-3-11-18(2)12-6-4-5-7-13-19-16-10-8-9-15(17)14-16/h3,8-10,14H,1,4-7,11-13,17H2,2H3
InChIKeyPMUKQSWOTWFSAI-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
ethane;3-prop-2-enoxyaniline
CID 143673688
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine
CID 2267298
2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
CID 43374542
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-(5-fluoropentoxy)aniline
CID 66646082
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
CID 45261576

Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline?
The IUPAC name of 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline (CID 140979271) is 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline.
What is the SMILES notation for 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline?
The canonical SMILES for 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline is C=CCN(C)CCCCCCOc1cccc(N)c1.
What is the InChIKey of 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline?
The InChIKey is PMUKQSWOTWFSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-11-18(2)12-6-4-5-7-13-19-16-10-8-9-15(17)14-16/h3,8-10,14H,1,4-7,11-13,17H2,2H3.
What are the key properties of 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline?
3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline is sourced from PubChem (CID 140979271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).