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

C14H19N — CID 70658400

IUPAC(4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine
SMILESC[C@@]1(N)c2ccccc2[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C14H19N/c1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3/t11-,13-,14+/m0/s1
InChIKeyMFIUUYLNYNJWFW-FPMFFAJLSA-N
MW201.31 g/mol
LogP3.15
Rot. Bonds

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

(4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine (PubChem CID 70658400) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine.

Molecular Properties

Compound Name(4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine
PubChem CID70658400
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine
SMILESC[C@@]1(N)c2ccccc2[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C14H19N/c1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3/t11-,13-,14+/m0/s1
InChIKeyMFIUUYLNYNJWFW-FPMFFAJLSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine?
The IUPAC name of (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine (CID 70658400) is (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine.
What is the SMILES notation for (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine?
The canonical SMILES for (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine is C[C@@]1(N)c2ccccc2[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine?
The InChIKey is MFIUUYLNYNJWFW-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H19N/c1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3/t11-,13-,14+/m0/s1.
What are the key properties of (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine?
(4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine has a molecular weight of 201.31 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine is sourced from PubChem (CID 70658400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).