N-octadecyl-9H-fluoren-4-amine

C31H47N — CID 150393762

IUPACN-octadecyl-9H-fluoren-4-amine
SMILESCCCCCCCCCCCCCCCCCCNc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C31H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-32-30-24-20-22-28-26-27-21-17-18-23-29(27)31(28)30/h17-18,20-24,32H,2-16,19,25-26H2,1H3
InChIKeyHCGGYDYWTDOBAK-UHFFFAOYSA-N
MW433.72 g/mol
LogP9.93
Rot. Bonds18

About N-octadecyl-9H-fluoren-4-amine

N-octadecyl-9H-fluoren-4-amine (PubChem CID 150393762) has the molecular formula C31H47N and a molecular weight of 433.72 g/mol. Its IUPAC name is N-octadecyl-9H-fluoren-4-amine.

Molecular Properties

Compound NameN-octadecyl-9H-fluoren-4-amine
PubChem CID150393762
Molecular FormulaC31H47N
Molecular Weight433.72 g/mol
Exact Mass433.37
IUPAC NameN-octadecyl-9H-fluoren-4-amine
SMILESCCCCCCCCCCCCCCCCCCNc1cccc2c1-c1ccccc1C2
InChIInChI=1S/C31H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-32-30-24-20-22-28-26-27-21-17-18-23-29(27)31(28)30/h17-18,20-24,32H,2-16,19,25-26H2,1H3
InChIKeyHCGGYDYWTDOBAK-UHFFFAOYSA-N
XLogP9.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 59.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
9H-fluorene;henicosane
CID 174789372
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
2-(octadecylamino)-6-phenylphenol
CID 138395030
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
bis(9H-fluorene);pentane
CID 159146463
2-(hexadecylamino)phenol
CID 154256819
3,4-dioctyl-9H-fluorene
CID 173498709
benzene;formamide;4-octyl-9H-fluorene
CID 175052278
bis(9H-fluorene);methane;pentane
CID 158815702
5-N-hexyl-2,2-dioxo-1H-2λ6,3-benzothiazine-4,5-diamine
CID 58429255

Frequently Asked Questions

What is the IUPAC name of N-octadecyl-9H-fluoren-4-amine?
The IUPAC name of N-octadecyl-9H-fluoren-4-amine (CID 150393762) is N-octadecyl-9H-fluoren-4-amine.
What is the SMILES notation for N-octadecyl-9H-fluoren-4-amine?
The canonical SMILES for N-octadecyl-9H-fluoren-4-amine is CCCCCCCCCCCCCCCCCCNc1cccc2c1-c1ccccc1C2.
What is the InChIKey of N-octadecyl-9H-fluoren-4-amine?
The InChIKey is HCGGYDYWTDOBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-32-30-24-20-22-28-26-27-21-17-18-23-29(27)31(28)30/h17-18,20-24,32H,2-16,19,25-26H2,1H3.
What are the key properties of N-octadecyl-9H-fluoren-4-amine?
N-octadecyl-9H-fluoren-4-amine has a molecular weight of 433.72 g/mol, XLogP of 9.93, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-9H-fluoren-4-amine is sourced from PubChem (CID 150393762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).