[6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol

C17H25NO — CID 88975977

IUPAC[6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol
SMILESCCCNCCCC1=CC2=CC=C(CO)CC2C=C1
InChIInChI=1S/C17H25NO/c1-2-9-18-10-3-4-14-5-7-17-12-15(13-19)6-8-16(17)11-14/h5-8,11,17-19H,2-4,9-10,12-13H2,1H3
InChIKeyUSBBVBBMUKZFLA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.13
Rot. Bonds7

About [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol

[6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol (PubChem CID 88975977) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol
PubChem CID88975977
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol
SMILESCCCNCCCC1=CC2=CC=C(CO)CC2C=C1
InChIInChI=1S/C17H25NO/c1-2-9-18-10-3-4-14-5-7-17-12-15(13-19)6-8-16(17)11-14/h5-8,11,17-19H,2-4,9-10,12-13H2,1H3
InChIKeyUSBBVBBMUKZFLA-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol?
The IUPAC name of [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol (CID 88975977) is [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol.
What is the SMILES notation for [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol?
The canonical SMILES for [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol is CCCNCCCC1=CC2=CC=C(CO)CC2C=C1.
What is the InChIKey of [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol?
The InChIKey is USBBVBBMUKZFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-9-18-10-3-4-14-5-7-17-12-15(13-19)6-8-16(17)11-14/h5-8,11,17-19H,2-4,9-10,12-13H2,1H3.
What are the key properties of [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol?
[6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(propylamino)propyl]-1,8a-dihydronaphthalen-2-yl]methanol is sourced from PubChem (CID 88975977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).