N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine

C16H25NO — CID 104986871

IUPACN-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine
SMILESC=CCCCC(NC)c1cccc(OCCC)c1
InChIInChI=1S/C16H25NO/c1-4-6-7-11-16(17-3)14-9-8-10-15(13-14)18-12-5-2/h4,8-10,13,16-17H,1,5-7,11-12H2,2-3H3
InChIKeyGTOPCTWDWOLQLP-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.09
Rot. Bonds9

About N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine

N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine (PubChem CID 104986871) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine
PubChem CID104986871
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine
SMILESC=CCCCC(NC)c1cccc(OCCC)c1
InChIInChI=1S/C16H25NO/c1-4-6-7-11-16(17-3)14-9-8-10-15(13-14)18-12-5-2/h4,8-10,13,16-17H,1,5-7,11-12H2,2-3H3
InChIKeyGTOPCTWDWOLQLP-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
CID 105005311
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
CID 81491489
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine?
The IUPAC name of N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine (CID 104986871) is N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine.
What is the SMILES notation for N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine?
The canonical SMILES for N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine is C=CCCCC(NC)c1cccc(OCCC)c1.
What is the InChIKey of N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine?
The InChIKey is GTOPCTWDWOLQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-7-11-16(17-3)14-9-8-10-15(13-14)18-12-5-2/h4,8-10,13,16-17H,1,5-7,11-12H2,2-3H3.
What are the key properties of N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine?
N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine is sourced from PubChem (CID 104986871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).