(4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

C13H17N — CID 10176442

IUPAC(4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESN[C@]12CCCC[C@H]1Cc1ccccc12
InChIInChI=1S/C13H17N/c14-13-8-4-3-6-11(13)9-10-5-1-2-7-12(10)13/h1-2,5,7,11H,3-4,6,8-9,14H2/t11-,13+/m0/s1
InChIKeyNUOQOLUXBAFBAG-WCQYABFASA-N
MW187.29 g/mol
LogP2.59
Rot. Bonds

About (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

(4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (PubChem CID 10176442) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.

Molecular Properties

Compound Name(4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
PubChem CID10176442
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESN[C@]12CCCC[C@H]1Cc1ccccc12
InChIInChI=1S/C13H17N/c14-13-8-4-3-6-11(13)9-10-5-1-2-7-12(10)13/h1-2,5,7,11H,3-4,6,8-9,14H2/t11-,13+/m0/s1
InChIKeyNUOQOLUXBAFBAG-WCQYABFASA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The IUPAC name of (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (CID 10176442) is (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.
What is the SMILES notation for (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The canonical SMILES for (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is N[C@]12CCCC[C@H]1Cc1ccccc12.
What is the InChIKey of (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The InChIKey is NUOQOLUXBAFBAG-WCQYABFASA-N. The full InChI is InChI=1S/C13H17N/c14-13-8-4-3-6-11(13)9-10-5-1-2-7-12(10)13/h1-2,5,7,11H,3-4,6,8-9,14H2/t11-,13+/m0/s1.
What are the key properties of (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
(4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine has a molecular weight of 187.29 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aS)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is sourced from PubChem (CID 10176442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).