2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine

C8H15NO — CID 82418057

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
SMILESNC1CCOC2CCCC12
InChIInChI=1S/C8H15NO/c9-7-4-5-10-8-3-1-2-6(7)8/h6-8H,1-5,9H2
InChIKeyDCOUQQUCBJRWMZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.90
Rot. Bonds

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine (PubChem CID 82418057) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
PubChem CID82418057
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
SMILESNC1CCOC2CCCC12
InChIInChI=1S/C8H15NO/c9-7-4-5-10-8-3-1-2-6(7)8/h6-8H,1-5,9H2
InChIKeyDCOUQQUCBJRWMZ-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
CID 97308025
(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol
CID 96636936
(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
CID 136589254
[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanamine
CID 124746900
[(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanol
CID 124676363
2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
CID 82412362
oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
CID 122360122
2-[(3aR,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]acetic acid
CID 124676375
(3aR,4S,6S,7aS)-6-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 129413351
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90136279

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine (CID 82418057) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine is NC1CCOC2CCCC12.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine?
The InChIKey is DCOUQQUCBJRWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-4-5-10-8-3-1-2-6(7)8/h6-8H,1-5,9H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine has a molecular weight of 141.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine is sourced from PubChem (CID 82418057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).