5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H26N2O — CID 65454398

IUPAC5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCCCN3CCCC3)cccc21
InChIInChI=1S/C17H26N2O/c18-16-8-3-7-15-14(16)6-4-9-17(15)20-13-5-12-19-10-1-2-11-19/h4,6,9,16H,1-3,5,7-8,10-13,18H2
InChIKeyPTFLYSLLPADXCK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds5

About 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65454398) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65454398
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCCCN3CCCC3)cccc21
InChIInChI=1S/C17H26N2O/c18-16-8-3-7-15-14(16)6-4-9-17(15)20-13-5-12-19-10-1-2-11-19/h4,6,9,16H,1-3,5,7-8,10-13,18H2
InChIKeyPTFLYSLLPADXCK-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102999836
5-[2-(trifluoromethylsulfanyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 116615123
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395
(2R)-8-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25059790
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 10358078

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65454398) is 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c(OCCCN3CCCC3)cccc21.
What is the InChIKey of 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PTFLYSLLPADXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16-8-3-7-15-14(16)6-4-9-17(15)20-13-5-12-19-10-1-2-11-19/h4,6,9,16H,1-3,5,7-8,10-13,18H2.
What are the key properties of 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).