N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C12H20FN3 — CID 106048487

IUPACN-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNc1ccc(F)cn1
InChIInChI=1S/C12H20FN3/c1-10(2)16(3)8-4-7-14-12-6-5-11(13)9-15-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyYHJSMDTWHXYJIM-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.36
Rot. Bonds6

About N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106048487) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106048487
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC NameN-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNc1ccc(F)cn1
InChIInChI=1S/C12H20FN3/c1-10(2)16(3)8-4-7-14-12-6-5-11(13)9-15-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyYHJSMDTWHXYJIM-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130918484
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
CID 106308279
3-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 61313740
N-(2,3-dimethylbutyl)-5-fluoropyridin-2-amine
CID 64597559
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106048487) is N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is YHJSMDTWHXYJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-10(2)16(3)8-4-7-14-12-6-5-11(13)9-15-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 225.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106048487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).