1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane

C17H25NO — CID 142954380

IUPAC1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
SMILESc1cc2c(cc1CN1CCCCCCC1)OCCC2
InChIInChI=1S/C17H25NO/c1-2-4-10-18(11-5-3-1)14-15-8-9-16-7-6-12-19-17(16)13-15/h8-9,13H,1-7,10-12,14H2
InChIKeyHSDMMJKTPJOAMB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane

1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane (PubChem CID 142954380) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
PubChem CID142954380
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
SMILESc1cc2c(cc1CN1CCCCCCC1)OCCC2
InChIInChI=1S/C17H25NO/c1-2-4-10-18(11-5-3-1)14-15-8-9-16-7-6-12-19-17(16)13-15/h8-9,13H,1-7,10-12,14H2
InChIKeyHSDMMJKTPJOAMB-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66663494
6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
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3-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
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CID 135197011
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane (CID 142954380) is 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane is c1cc2c(cc1CN1CCCCCCC1)OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane?
The InChIKey is HSDMMJKTPJOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-4-10-18(11-5-3-1)14-15-8-9-16-7-6-12-19-17(16)13-15/h8-9,13H,1-7,10-12,14H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane?
1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane has a molecular weight of 259.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane is sourced from PubChem (CID 142954380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).