5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid

C21H33NO5 — CID 90668689

IUPAC5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
SMILESCCCCCN(CCC)C1CCc2c(cccc2OC)C1.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO.C2H2O4/c1-4-6-7-14-20(13-5-2)17-11-12-18-16(15-17)9-8-10-19(18)21-3;3-1(4)2(5)6/h8-10,17H,4-7,11-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFQPSRQSINQHTPE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.61
Rot. Bonds8

About 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid

5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid (PubChem CID 90668689) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid.

Molecular Properties

Compound Name5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
PubChem CID90668689
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Name5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
SMILESCCCCCN(CCC)C1CCc2c(cccc2OC)C1.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO.C2H2O4/c1-4-6-7-14-20(13-5-2)17-11-12-18-16(15-17)9-8-10-19(18)21-3;3-1(4)2(5)6/h8-10,17H,4-7,11-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFQPSRQSINQHTPE-UHFFFAOYSA-N
XLogP3.61
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
CID 23224897
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71459664
N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide
CID 19592098
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562601
N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836520
[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate
CID 118668200
6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 12581200

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
The IUPAC name of 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid (CID 90668689) is 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid.
What is the SMILES notation for 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
The canonical SMILES for 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid is CCCCCN(CCC)C1CCc2c(cccc2OC)C1.O=C(O)C(=O)O.
What is the InChIKey of 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
The InChIKey is FQPSRQSINQHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.C2H2O4/c1-4-6-7-14-20(13-5-2)17-11-12-18-16(15-17)9-8-10-19(18)21-3;3-1(4)2(5)6/h8-10,17H,4-7,11-15H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid?
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid has a molecular weight of 379.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid is sourced from PubChem (CID 90668689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).