5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H25NO — CID 65454622

IUPAC5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CCCOc1cccc2c1CCCC2NCCC
InChIInChI=1S/C17H25NO/c1-3-5-13-19-17-11-7-8-14-15(17)9-6-10-16(14)18-12-4-2/h3,7-8,11,16,18H,1,4-6,9-10,12-13H2,2H3
InChIKeyUOCAGLBBTGKGQP-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.02
Rot. Bonds7

About 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65454622) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65454622
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CCCOc1cccc2c1CCCC2NCCC
InChIInChI=1S/C17H25NO/c1-3-5-13-19-17-11-7-8-14-15(17)9-6-10-16(14)18-12-4-2/h3,7-8,11,16,18H,1,4-6,9-10,12-13H2,2H3
InChIKeyUOCAGLBBTGKGQP-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.02
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

5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107006227
5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437032
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106929342
N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65453675
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454800
4-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butanenitrile
CID 65454998
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65454622) is 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is C=CCCOc1cccc2c1CCCC2NCCC.
What is the InChIKey of 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UOCAGLBBTGKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-5-13-19-17-11-7-8-14-15(17)9-6-10-16(14)18-12-4-2/h3,7-8,11,16,18H,1,4-6,9-10,12-13H2,2H3.
What are the key properties of 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65454622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).