(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine

C16H21N — CID 144827686

IUPAC(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine
SMILESCC1(C)C2=C(CCC=C2)C2=C1C(CN)=CCC2
InChIInChI=1S/C16H21N/c1-16(2)14-9-4-3-7-12(14)13-8-5-6-11(10-17)15(13)16/h4,6,9H,3,5,7-8,10,17H2,1-2H3
InChIKeyLIYINVIIRPLWOB-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.65
Rot. Bonds1

About (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine

(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine (PubChem CID 144827686) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine.

Molecular Properties

Compound Name(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine
PubChem CID144827686
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine
SMILESCC1(C)C2=C(CCC=C2)C2=C1C(CN)=CCC2
InChIInChI=1S/C16H21N/c1-16(2)14-9-4-3-7-12(14)13-8-5-6-11(10-17)15(13)16/h4,6,9H,3,5,7-8,10,17H2,1-2H3
InChIKeyLIYINVIIRPLWOB-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine?
The IUPAC name of (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine (CID 144827686) is (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine.
What is the SMILES notation for (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine?
The canonical SMILES for (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine is CC1(C)C2=C(CCC=C2)C2=C1C(CN)=CCC2.
What is the InChIKey of (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine?
The InChIKey is LIYINVIIRPLWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-16(2)14-9-4-3-7-12(14)13-8-5-6-11(10-17)15(13)16/h4,6,9H,3,5,7-8,10,17H2,1-2H3.
What are the key properties of (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine?
(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine has a molecular weight of 227.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine is sourced from PubChem (CID 144827686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).