1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H20FN3 — CID 104953350

IUPAC1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cncc(F)c1
InChIInChI=1S/C12H20FN3/c1-12(2,16(3)4)9-15-7-10-5-11(13)8-14-6-10/h5-6,8,15H,7,9H2,1-4H3
InChIKeyQMLDFZYOQAOFCQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.65
Rot. Bonds5

About 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 104953350) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID104953350
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cncc(F)c1
InChIInChI=1S/C12H20FN3/c1-12(2,16(3)4)9-15-7-10-5-11(13)8-14-6-10/h5-6,8,15H,7,9H2,1-4H3
InChIKeyQMLDFZYOQAOFCQ-UHFFFAOYSA-N
XLogP1.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3,5-difluorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113338369
N-[(5-fluoro-3-pyridinyl)methyl]-2-methylsulfinylethanamine
CID 104953724
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
CID 134293937
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914
N-[(5-fluoro-3-pyridinyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 104953835
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane
CID 158330652
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
CID 104953695
1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 104953350) is 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCc1cncc(F)c1.
What is the InChIKey of 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is QMLDFZYOQAOFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(2,16(3)4)9-15-7-10-5-11(13)8-14-6-10/h5-6,8,15H,7,9H2,1-4H3.
What are the key properties of 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 225.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 104953350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).