N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine

C12H20FN3 — CID 104785806

IUPACN'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1cncc(F)c1
InChIInChI=1S/C12H20FN3/c1-10(2)15-4-5-16(3)9-11-6-12(13)8-14-7-11/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeySMLGDPXQCWEPAT-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.65
Rot. Bonds6

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

N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 104785806) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID104785806
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC NameN'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1cncc(F)c1
InChIInChI=1S/C12H20FN3/c1-10(2)15-4-5-16(3)9-11-6-12(13)8-14-7-11/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeySMLGDPXQCWEPAT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 104785806) is N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)Cc1cncc(F)c1.
What is the InChIKey of N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is SMLGDPXQCWEPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-10(2)15-4-5-16(3)9-11-6-12(13)8-14-7-11/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 225.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-fluoro-3-pyridinyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 104785806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).