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

C14H19N — CID 57391438

IUPAC(4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCN[C@]12CCCCC1Cc1ccccc12
InChIInChI=1S/C14H19N/c1-15-14-9-5-4-7-12(14)10-11-6-2-3-8-13(11)14/h2-3,6,8,12,15H,4-5,7,9-10H2,1H3/t12?,14-/m1/s1
InChIKeyKQLIVVYSTDBTMZ-TYZXPVIJSA-N
MW201.31 g/mol
LogP2.85
Rot. Bonds1

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

(4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (PubChem CID 57391438) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.

Molecular Properties

Compound Name(4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
PubChem CID57391438
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCN[C@]12CCCCC1Cc1ccccc12
InChIInChI=1S/C14H19N/c1-15-14-9-5-4-7-12(14)10-11-6-2-3-8-13(11)14/h2-3,6,8,12,15H,4-5,7,9-10H2,1H3/t12?,14-/m1/s1
InChIKeyKQLIVVYSTDBTMZ-TYZXPVIJSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The IUPAC name of (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (CID 57391438) is (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.
What is the SMILES notation for (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The canonical SMILES for (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is CN[C@]12CCCCC1Cc1ccccc12.
What is the InChIKey of (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The InChIKey is KQLIVVYSTDBTMZ-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H19N/c1-15-14-9-5-4-7-12(14)10-11-6-2-3-8-13(11)14/h2-3,6,8,12,15H,4-5,7,9-10H2,1H3/t12?,14-/m1/s1.
What are the key properties of (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
(4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine has a molecular weight of 201.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is sourced from PubChem (CID 57391438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).