(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine

C11H18FN — CID 139456278

IUPAC(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine
SMILESCC1C(F)=CC(N)C2CCCC[C@H]12
InChIInChI=1S/C11H18FN/c1-7-8-4-2-3-5-9(8)11(13)6-10(7)12/h6-9,11H,2-5,13H2,1H3/t7?,8-,9?,11?/m1/s1
InChIKeyYPODOIQGYQJPTP-PPMKJDBRSA-N
MW183.27 g/mol
LogP2.62
Rot. Bonds

About (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine

(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine (PubChem CID 139456278) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine.

Molecular Properties

Compound Name(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine
PubChem CID139456278
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine
SMILESCC1C(F)=CC(N)C2CCCC[C@H]12
InChIInChI=1S/C11H18FN/c1-7-8-4-2-3-5-9(8)11(13)6-10(7)12/h6-9,11H,2-5,13H2,1H3/t7?,8-,9?,11?/m1/s1
InChIKeyYPODOIQGYQJPTP-PPMKJDBRSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine?
The IUPAC name of (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine (CID 139456278) is (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine.
What is the SMILES notation for (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine?
The canonical SMILES for (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine is CC1C(F)=CC(N)C2CCCC[C@H]12.
What is the InChIKey of (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine?
The InChIKey is YPODOIQGYQJPTP-PPMKJDBRSA-N. The full InChI is InChI=1S/C11H18FN/c1-7-8-4-2-3-5-9(8)11(13)6-10(7)12/h6-9,11H,2-5,13H2,1H3/t7?,8-,9?,11?/m1/s1.
What are the key properties of (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine?
(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine is sourced from PubChem (CID 139456278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).