N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine

C15H21FN2 — CID 57324956

IUPACN-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine
SMILESCC(C)(C)NC1CC/C1=N\Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2/c1-15(2,3)18-14-8-7-13(14)17-10-11-5-4-6-12(16)9-11/h4-6,9,14,18H,7-8,10H2,1-3H3/b17-13+
InChIKeyYQWHJGVHQBZXMR-GHRIWEEISA-N
MW248.34 g/mol
LogP3.32
Rot. Bonds3

About N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine

N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine (PubChem CID 57324956) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine
PubChem CID57324956
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine
SMILESCC(C)(C)NC1CC/C1=N\Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2/c1-15(2,3)18-14-8-7-13(14)17-10-11-5-4-6-12(16)9-11/h4-6,9,14,18H,7-8,10H2,1-3H3/b17-13+
InChIKeyYQWHJGVHQBZXMR-GHRIWEEISA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine
CID 135934664
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
1-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111869556
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
tert-butyl (3aS,7aR)-2-[(3-fluorophenyl)methylimino]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazole-1-carboxylate
CID 173093788
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 67338341

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine (CID 57324956) is N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine is CC(C)(C)NC1CC/C1=N\Cc1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine?
The InChIKey is YQWHJGVHQBZXMR-GHRIWEEISA-N. The full InChI is InChI=1S/C15H21FN2/c1-15(2,3)18-14-8-7-13(14)17-10-11-5-4-6-12(16)9-11/h4-6,9,14,18H,7-8,10H2,1-3H3/b17-13+.
What are the key properties of N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine?
N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine has a molecular weight of 248.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine is sourced from PubChem (CID 57324956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).