N-butyl-N-methyl-9H-fluoren-9-amine

C18H21N — CID 14340271

IUPACN-butyl-N-methyl-9H-fluoren-9-amine
SMILESCCCCN(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H21N/c1-3-4-13-19(2)18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18H,3-4,13H2,1-2H3
InChIKeyABHAGKGIFYJAPQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.49
Rot. Bonds4

About N-butyl-N-methyl-9H-fluoren-9-amine

N-butyl-N-methyl-9H-fluoren-9-amine (PubChem CID 14340271) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-butyl-N-methyl-9H-fluoren-9-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-9H-fluoren-9-amine
PubChem CID14340271
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-butyl-N-methyl-9H-fluoren-9-amine
SMILESCCCCN(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H21N/c1-3-4-13-19(2)18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18H,3-4,13H2,1-2H3
InChIKeyABHAGKGIFYJAPQ-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-9H-fluoren-9-amine?
The IUPAC name of N-butyl-N-methyl-9H-fluoren-9-amine (CID 14340271) is N-butyl-N-methyl-9H-fluoren-9-amine.
What is the SMILES notation for N-butyl-N-methyl-9H-fluoren-9-amine?
The canonical SMILES for N-butyl-N-methyl-9H-fluoren-9-amine is CCCCN(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-butyl-N-methyl-9H-fluoren-9-amine?
The InChIKey is ABHAGKGIFYJAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-4-13-19(2)18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-N-methyl-9H-fluoren-9-amine?
N-butyl-N-methyl-9H-fluoren-9-amine has a molecular weight of 251.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-9H-fluoren-9-amine is sourced from PubChem (CID 14340271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).