9-(1-aminobutyl)-N-butylfluoren-9-amine

C21H28N2 — CID 134185672

IUPAC9-(1-aminobutyl)-N-butylfluoren-9-amine
SMILESCCCCNC1(C(N)CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H28N2/c1-3-5-15-23-21(20(22)10-4-2)18-13-8-6-11-16(18)17-12-7-9-14-19(17)21/h6-9,11-14,20,23H,3-5,10,15,22H2,1-2H3
InChIKeyGOFOYUBQIWAFCW-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.43
Rot. Bonds7

About 9-(1-aminobutyl)-N-butylfluoren-9-amine

9-(1-aminobutyl)-N-butylfluoren-9-amine (PubChem CID 134185672) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 9-(1-aminobutyl)-N-butylfluoren-9-amine.

Molecular Properties

Compound Name9-(1-aminobutyl)-N-butylfluoren-9-amine
PubChem CID134185672
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name9-(1-aminobutyl)-N-butylfluoren-9-amine
SMILESCCCCNC1(C(N)CCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H28N2/c1-3-5-15-23-21(20(22)10-4-2)18-13-8-6-11-16(18)17-12-7-9-14-19(17)21/h6-9,11-14,20,23H,3-5,10,15,22H2,1-2H3
InChIKeyGOFOYUBQIWAFCW-UHFFFAOYSA-N
XLogP4.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[9-(1-butoxy-1-oxopentan-2-yl)fluoren-9-yl]pentanoate
CID 141442960
9-(1-aminooctyl)-2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9-N-octylfluorene-2,7,9-triamine
CID 147377581
N-butyl-9-propylfluorene-9-carboxamide
CID 22891586
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
dipentyl fluorene-9,9-dicarboxylate
CID 126715860
9-ethyl-9-propan-2-ylfluorene
CID 142424661
butyl 9-hydroxyfluorene-9-carboxylate;silver
CID 122424754
9-(methoxymethyl)-9-(pentoxymethyl)fluorene
CID 22140520
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
CID 71465071
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728

Frequently Asked Questions

What is the IUPAC name of 9-(1-aminobutyl)-N-butylfluoren-9-amine?
The IUPAC name of 9-(1-aminobutyl)-N-butylfluoren-9-amine (CID 134185672) is 9-(1-aminobutyl)-N-butylfluoren-9-amine.
What is the SMILES notation for 9-(1-aminobutyl)-N-butylfluoren-9-amine?
The canonical SMILES for 9-(1-aminobutyl)-N-butylfluoren-9-amine is CCCCNC1(C(N)CCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(1-aminobutyl)-N-butylfluoren-9-amine?
The InChIKey is GOFOYUBQIWAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-3-5-15-23-21(20(22)10-4-2)18-13-8-6-11-16(18)17-12-7-9-14-19(17)21/h6-9,11-14,20,23H,3-5,10,15,22H2,1-2H3.
What are the key properties of 9-(1-aminobutyl)-N-butylfluoren-9-amine?
9-(1-aminobutyl)-N-butylfluoren-9-amine has a molecular weight of 308.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-aminobutyl)-N-butylfluoren-9-amine is sourced from PubChem (CID 134185672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).