(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C15H19NO — CID 114091155

IUPAC(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC#CCCOc1ccc2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C15H19NO/c1-2-3-4-10-17-13-9-8-12-6-5-7-15(16)14(12)11-13/h8-9,11,15H,4-7,10,16H2,1H3/t15-/m0/s1
InChIKeyHSJDFRRDJPMBTM-HNNXBMFYSA-N
MW229.32 g/mol
LogP2.81
Rot. Bonds3

About (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114091155) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114091155
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC#CCCOc1ccc2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C15H19NO/c1-2-3-4-10-17-13-9-8-12-6-5-7-15(16)14(12)11-13/h8-9,11,15H,4-7,10,16H2,1H3/t15-/m0/s1
InChIKeyHSJDFRRDJPMBTM-HNNXBMFYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091177
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091185
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 82850996
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821

Frequently Asked Questions

What is the IUPAC name of (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114091155) is (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CC#CCCOc1ccc2c(c1)[C@@H](N)CCC2.
What is the InChIKey of (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HSJDFRRDJPMBTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-10-17-13-9-8-12-6-5-7-15(16)14(12)11-13/h8-9,11,15H,4-7,10,16H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114091155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).