(8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol

C9H17NO2 — CID 66582138

IUPAC(8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol
SMILESN[C@@]12CCCCC1(O)CCCO2
InChIInChI=1S/C9H17NO2/c10-9-6-2-1-4-8(9,11)5-3-7-12-9/h11H,1-7,10H2/t8?,9-/m1/s1
InChIKeyJWPDHRDSQXVBGV-YGPZHTELSA-N
MW171.24 g/mol
LogP0.76
Rot. Bonds

About (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol

(8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol (PubChem CID 66582138) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol.

Molecular Properties

Compound Name(8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol
PubChem CID66582138
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol
SMILESN[C@@]12CCCCC1(O)CCCO2
InChIInChI=1S/C9H17NO2/c10-9-6-2-1-4-8(9,11)5-3-7-12-9/h11H,1-7,10H2/t8?,9-/m1/s1
InChIKeyJWPDHRDSQXVBGV-YGPZHTELSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173416726
1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
CID 80603437
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
trimethoxy-(2-methyloxan-2-yl)silane
CID 174779406
1,3-dioxepane-2,2-diamine
CID 22008226
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
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CID 15391948
cyclopentadecane-1,1-diol
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Frequently Asked Questions

What is the IUPAC name of (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol?
The IUPAC name of (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol (CID 66582138) is (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol.
What is the SMILES notation for (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol?
The canonical SMILES for (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol is N[C@@]12CCCCC1(O)CCCO2.
What is the InChIKey of (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol?
The InChIKey is JWPDHRDSQXVBGV-YGPZHTELSA-N. The full InChI is InChI=1S/C9H17NO2/c10-9-6-2-1-4-8(9,11)5-3-7-12-9/h11H,1-7,10H2/t8?,9-/m1/s1.
What are the key properties of (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol?
(8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol has a molecular weight of 171.24 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-8a-amino-3,4,5,6,7,8-hexahydro-2H-chromen-4a-ol is sourced from PubChem (CID 66582138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).