1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine

C17H27NO2 — CID 104987020

IUPAC1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-5-7-8-9-16(18-12-6-2)15-13-14(19-3)10-11-17(15)20-4/h5,10-11,13,16,18H,1,6-9,12H2,2-4H3
InChIKeyBJUXTPQYHBMEIL-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.10
Rot. Bonds10

About 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine

1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine (PubChem CID 104987020) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
PubChem CID104987020
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-5-7-8-9-16(18-12-6-2)15-13-14(19-3)10-11-17(15)20-4/h5,10-11,13,16,18H,1,6-9,12H2,2-4H3
InChIKeyBJUXTPQYHBMEIL-UHFFFAOYSA-N
XLogP4.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
1-(2,4-dimethoxyphenyl)hex-5-enylhydrazine
CID 105311306
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine (CID 104987020) is 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine?
The InChIKey is BJUXTPQYHBMEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-7-8-9-16(18-12-6-2)15-13-14(19-3)10-11-17(15)20-4/h5,10-11,13,16,18H,1,6-9,12H2,2-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine?
1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 104987020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).