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

C15H21N — CID 10375993

IUPAC(4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCN[C@@]12c3ccccc3C[C@@H]1CCC[C@H]2C
InChIInChI=1S/C15H21N/c1-11-6-5-8-13-10-12-7-3-4-9-14(12)15(11,13)16-2/h3-4,7,9,11,13,16H,5-6,8,10H2,1-2H3/t11-,13+,15-/m1/s1
InChIKeySEQVASNPEDFLRB-OSAQELSMSA-N
MW215.34 g/mol
LogP3.09
Rot. Bonds1

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

(4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (PubChem CID 10375993) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.

Molecular Properties

Compound Name(4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
PubChem CID10375993
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCN[C@@]12c3ccccc3C[C@@H]1CCC[C@H]2C
InChIInChI=1S/C15H21N/c1-11-6-5-8-13-10-12-7-3-4-9-14(12)15(11,13)16-2/h3-4,7,9,11,13,16H,5-6,8,10H2,1-2H3/t11-,13+,15-/m1/s1
InChIKeySEQVASNPEDFLRB-OSAQELSMSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The IUPAC name of (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (CID 10375993) is (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.
What is the SMILES notation for (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The canonical SMILES for (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is CN[C@@]12c3ccccc3C[C@@H]1CCC[C@H]2C.
What is the InChIKey of (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The InChIKey is SEQVASNPEDFLRB-OSAQELSMSA-N. The full InChI is InChI=1S/C15H21N/c1-11-6-5-8-13-10-12-7-3-4-9-14(12)15(11,13)16-2/h3-4,7,9,11,13,16H,5-6,8,10H2,1-2H3/t11-,13+,15-/m1/s1.
What are the key properties of (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
(4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine has a molecular weight of 215.34 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,9aS)-N,4-dimethyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is sourced from PubChem (CID 10375993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).