N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine

C16H23N — CID 54476051

IUPACN-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
SMILESCCCNC1c2ccccc2C2CCCCC21
InChIInChI=1S/C16H23N/c1-2-11-17-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3,5,7,9,13,15-17H,2,4,6,8,10-11H2,1H3
InChIKeyXLQLPHNRZCZGOO-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.01
Rot. Bonds3

About N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine

N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine (PubChem CID 54476051) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine.

Molecular Properties

Compound NameN-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
PubChem CID54476051
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
SMILESCCCNC1c2ccccc2C2CCCCC21
InChIInChI=1S/C16H23N/c1-2-11-17-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3,5,7,9,13,15-17H,2,4,6,8,10-11H2,1H3
InChIKeyXLQLPHNRZCZGOO-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
The IUPAC name of N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine (CID 54476051) is N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine.
What is the SMILES notation for N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
The canonical SMILES for N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine is CCCNC1c2ccccc2C2CCCCC21.
What is the InChIKey of N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
The InChIKey is XLQLPHNRZCZGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-11-17-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3,5,7,9,13,15-17H,2,4,6,8,10-11H2,1H3.
What are the key properties of N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine?
N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine has a molecular weight of 229.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine is sourced from PubChem (CID 54476051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).