N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine

C15H23NO — CID 105163437

IUPACN,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine
SMILESCNC(C=C(C)C)CCOc1cccc(C)c1
InChIInChI=1S/C15H23NO/c1-12(2)10-14(16-4)8-9-17-15-7-5-6-13(3)11-15/h5-7,10-11,14,16H,8-9H2,1-4H3
InChIKeyIUDUCAZQLBRDCT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds6

About N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine

N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine (PubChem CID 105163437) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine
PubChem CID105163437
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine
SMILESCNC(C=C(C)C)CCOc1cccc(C)c1
InChIInChI=1S/C15H23NO/c1-12(2)10-14(16-4)8-9-17-15-7-5-6-13(3)11-15/h5-7,10-11,14,16H,8-9H2,1-4H3
InChIKeyIUDUCAZQLBRDCT-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-methyl-3-(3-methylphenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105119056
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine?
The IUPAC name of N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine (CID 105163437) is N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine?
The canonical SMILES for N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine is CNC(C=C(C)C)CCOc1cccc(C)c1.
What is the InChIKey of N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine?
The InChIKey is IUDUCAZQLBRDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)10-14(16-4)8-9-17-15-7-5-6-13(3)11-15/h5-7,10-11,14,16H,8-9H2,1-4H3.
What are the key properties of N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine?
N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(3-methylphenoxy)hex-4-en-3-amine is sourced from PubChem (CID 105163437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).