N-(9H-fluoren-9-yl)heptan-1-imine

C20H23N — CID 15543721

IUPACN-(9H-fluoren-9-yl)heptan-1-imine
SMILESCCCCCC/C=N/C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23N/c1-2-3-4-5-10-15-21-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-15,20H,2-5,10H2,1H3/b21-15+
InChIKeyHQMZGACVNTZPRX-RCCKNPSSSA-N
MW277.41 g/mol
LogP5.80
Rot. Bonds6

About N-(9H-fluoren-9-yl)heptan-1-imine

N-(9H-fluoren-9-yl)heptan-1-imine (PubChem CID 15543721) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)heptan-1-imine.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)heptan-1-imine
PubChem CID15543721
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(9H-fluoren-9-yl)heptan-1-imine
SMILESCCCCCC/C=N/C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23N/c1-2-3-4-5-10-15-21-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-15,20H,2-5,10H2,1H3/b21-15+
InChIKeyHQMZGACVNTZPRX-RCCKNPSSSA-N
XLogP5.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dimefadane
CID 21760
Dimefadane hydrochloride
CID 517910
Fluoren-9-amine
CID 10671
triethyl(9H-fluoren-9-yl)azanium
CID 58610621
9H-Fluoren-9-yl isocyanate
CID 3673441
n,n-Dimethyl-9h-fluoren-9-amine
CID 265040
2-Benzylindan-1-amine
CID 46230981
N,N,9-trimethylfluoren-9-amine
CID 146656770
9-(Dimethylamino)methyleneaminofluorene
CID 58285
N,N-dimethyl-3-(4'-iodophenyl)-1-indanamine
CID 182597
N-benzyl-2-fluoro-2,3-dihydroinden-1-imine
CID 135077780
N-benzyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 15365679

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)heptan-1-imine?
The IUPAC name of N-(9H-fluoren-9-yl)heptan-1-imine (CID 15543721) is N-(9H-fluoren-9-yl)heptan-1-imine.
What is the SMILES notation for N-(9H-fluoren-9-yl)heptan-1-imine?
The canonical SMILES for N-(9H-fluoren-9-yl)heptan-1-imine is CCCCCC/C=N/C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(9H-fluoren-9-yl)heptan-1-imine?
The InChIKey is HQMZGACVNTZPRX-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H23N/c1-2-3-4-5-10-15-21-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-15,20H,2-5,10H2,1H3/b21-15+.
What are the key properties of N-(9H-fluoren-9-yl)heptan-1-imine?
N-(9H-fluoren-9-yl)heptan-1-imine has a molecular weight of 277.41 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)heptan-1-imine is sourced from PubChem (CID 15543721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).