(4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine

C15H19N — CID 57426056

IUPAC(4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine
SMILESCCN[C@]12CC=CC[C@H]1Cc1ccccc12
InChIInChI=1S/C15H19N/c1-2-16-15-10-6-5-8-13(15)11-12-7-3-4-9-14(12)15/h3-7,9,13,16H,2,8,10-11H2,1H3/t13-,15+/m0/s1
InChIKeyDRCWOKJLSQUJPZ-DZGCQCFKSA-N
MW213.32 g/mol
LogP3.01
Rot. Bonds2

About (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine

(4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine (PubChem CID 57426056) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine.

Molecular Properties

Compound Name(4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine
PubChem CID57426056
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine
SMILESCCN[C@]12CC=CC[C@H]1Cc1ccccc12
InChIInChI=1S/C15H19N/c1-2-16-15-10-6-5-8-13(15)11-12-7-3-4-9-14(12)15/h3-7,9,13,16H,2,8,10-11H2,1H3/t13-,15+/m0/s1
InChIKeyDRCWOKJLSQUJPZ-DZGCQCFKSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine?
The IUPAC name of (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine (CID 57426056) is (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine.
What is the SMILES notation for (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine?
The canonical SMILES for (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine is CCN[C@]12CC=CC[C@H]1Cc1ccccc12.
What is the InChIKey of (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine?
The InChIKey is DRCWOKJLSQUJPZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H19N/c1-2-16-15-10-6-5-8-13(15)11-12-7-3-4-9-14(12)15/h3-7,9,13,16H,2,8,10-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine?
(4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine has a molecular weight of 213.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aS)-N-ethyl-1,4,9,9a-tetrahydrofluoren-4a-amine is sourced from PubChem (CID 57426056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).