N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine

C11H17F2N3 — CID 112676470

IUPACN'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncc(F)cc1F
InChIInChI=1S/C11H17F2N3/c1-3-4-14-5-6-16(2)11-10(13)7-9(12)8-15-11/h7-8,14H,3-6H2,1-2H3
InChIKeyISHQUNXFNBTTLE-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.80
Rot. Bonds6

About N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine

N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 112676470) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID112676470
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC NameN'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncc(F)cc1F
InChIInChI=1S/C11H17F2N3/c1-3-4-14-5-6-16(2)11-10(13)7-9(12)8-15-11/h7-8,14H,3-6H2,1-2H3
InChIKeyISHQUNXFNBTTLE-UHFFFAOYSA-N
XLogP1.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.80
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'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 115993876
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine
CID 63618416
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591421
N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide
CID 135192100
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine
CID 112676585
N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 62593023
N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
CID 106535582

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine (CID 112676470) is N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)c1ncc(F)cc1F.
What is the InChIKey of N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is ISHQUNXFNBTTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-3-4-14-5-6-16(2)11-10(13)7-9(12)8-15-11/h7-8,14H,3-6H2,1-2H3.
What are the key properties of N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 229.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 112676470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).