4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

C14H19N — CID 19107061

IUPAC4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCC1CCCC2Cc3ccccc3C12N
InChIInChI=1S/C14H19N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10,12)15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3
InChIKeySEIXOAIDAGGEFF-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.83
Rot. Bonds

About 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (PubChem CID 19107061) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.

Molecular Properties

Compound Name4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
PubChem CID19107061
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCC1CCCC2Cc3ccccc3C12N
InChIInChI=1S/C14H19N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10,12)15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3
InChIKeySEIXOAIDAGGEFF-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The IUPAC name of 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (CID 19107061) is 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.
What is the SMILES notation for 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The canonical SMILES for 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is CC1CCCC2Cc3ccccc3C12N.
What is the InChIKey of 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The InChIKey is SEIXOAIDAGGEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10,12)15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3.
What are the key properties of 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine has a molecular weight of 201.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is sourced from PubChem (CID 19107061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).