N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine

C16H25NO — CID 112551779

IUPACN-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO/c1-5-7-8-13(3)17-16(6-2)14-9-11-15(18-4)12-10-14/h5,9-13,16-17H,1,6-8H2,2-4H3
InChIKeyLTKUGVXBNPLCRM-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.09
Rot. Bonds8

About N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine

N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine (PubChem CID 112551779) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
PubChem CID112551779
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO/c1-5-7-8-13(3)17-16(6-2)14-9-11-15(18-4)12-10-14/h5,9-13,16-17H,1,6-8H2,2-4H3
InChIKeyLTKUGVXBNPLCRM-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
N-[(1R)-1-(4-methoxyphenyl)ethyl]but-3-en-1-amine
CID 71661481
3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 83177620
methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
CID 60722003
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine (CID 112551779) is N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine is C=CCCC(C)NC(CC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine?
The InChIKey is LTKUGVXBNPLCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-7-8-13(3)17-16(6-2)14-9-11-15(18-4)12-10-14/h5,9-13,16-17H,1,6-8H2,2-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine?
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine has a molecular weight of 247.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine is sourced from PubChem (CID 112551779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).