2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile

C16H22FN3 — CID 133491706

IUPAC2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
SMILESCN(C)CC1(CNc2cccc(F)c2C#N)CCCC1
InChIInChI=1S/C16H22FN3/c1-20(2)12-16(8-3-4-9-16)11-19-15-7-5-6-14(17)13(15)10-18/h5-7,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyWESBABAMNOJRDJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.23
Rot. Bonds5

About 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile

2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile (PubChem CID 133491706) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
PubChem CID133491706
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
SMILESCN(C)CC1(CNc2cccc(F)c2C#N)CCCC1
InChIInChI=1S/C16H22FN3/c1-20(2)12-16(8-3-4-9-16)11-19-15-7-5-6-14(17)13(15)10-18/h5-7,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyWESBABAMNOJRDJ-UHFFFAOYSA-N
XLogP3.23
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(1-methylsulfanylcyclopropyl)methylamino]benzonitrile
CID 107269115
2-fluoro-6-[(4-hydroxy-1,1-dioxothian-4-yl)methylamino]benzonitrile
CID 86769475
2-fluoro-6-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]benzonitrile
CID 133405829
2-fluoro-6-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzonitrile
CID 78916128
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
CID 133491716
2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 115360414
2-chloro-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 103966844
2-bromo-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114881316
2-fluoro-6-(octylamino)benzonitrile
CID 43580179
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-[1-[(3-bromo-2-cyanoanilino)methyl]cyclohexyl]acetic acid
CID 114880107

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile (CID 133491706) is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile is CN(C)CC1(CNc2cccc(F)c2C#N)CCCC1.
What is the InChIKey of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile?
The InChIKey is WESBABAMNOJRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-20(2)12-16(8-3-4-9-16)11-19-15-7-5-6-14(17)13(15)10-18/h5-7,19H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile?
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile has a molecular weight of 275.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 133491706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).