2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile

C15H22FN3 — CID 79662117

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile
SMILESCCCN(CC(C)(C)CN)c1cccc(F)c1C#N
InChIInChI=1S/C15H22FN3/c1-4-8-19(11-15(2,3)10-18)14-7-5-6-13(16)12(14)9-17/h5-7H,4,8,10-11,18H2,1-3H3
InChIKeyVIAKIUAAMHZFAH-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.90
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile (PubChem CID 79662117) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile
PubChem CID79662117
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile
SMILESCCCN(CC(C)(C)CN)c1cccc(F)c1C#N
InChIInChI=1S/C15H22FN3/c1-4-8-19(11-15(2,3)10-18)14-7-5-6-13(16)12(14)9-17/h5-7H,4,8,10-11,18H2,1-3H3
InChIKeyVIAKIUAAMHZFAH-UHFFFAOYSA-N
XLogP2.90
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminophenyl)methyl-propylamino]-6-fluorobenzonitrile
CID 60877231
4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051803
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-4-methylbenzonitrile
CID 79662187
4-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-bromobenzonitrile
CID 82808752
2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
CID 79662269
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79659974
2-bromo-6-[propyl(prop-2-ynyl)amino]benzonitrile
CID 114881266
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-chlorobenzonitrile
CID 79652568
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-fluorobenzonitrile
CID 79513302
2-[N-(carboxymethyl)-2-cyano-3-fluoroanilino]acetic acid
CID 79513207
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzonitrile
CID 62497864

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile (CID 79662117) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile is CCCN(CC(C)(C)CN)c1cccc(F)c1C#N.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile?
The InChIKey is VIAKIUAAMHZFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-4-8-19(11-15(2,3)10-18)14-7-5-6-13(16)12(14)9-17/h5-7H,4,8,10-11,18H2,1-3H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile has a molecular weight of 263.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 79662117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).