N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine

C13H19F2N3 — CID 112675387

IUPACN'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCN(c1ncc(F)cc1F)C1CCCC1
InChIInChI=1S/C13H19F2N3/c14-10-8-12(15)13(17-9-10)18(7-3-6-16)11-4-1-2-5-11/h8-9,11H,1-7,16H2
InChIKeyMTHMYXFRYKFPAW-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.46
Rot. Bonds5

About N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine

N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine (PubChem CID 112675387) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
PubChem CID112675387
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCN(c1ncc(F)cc1F)C1CCCC1
InChIInChI=1S/C13H19F2N3/c14-10-8-12(15)13(17-9-10)18(7-3-6-16)11-4-1-2-5-11/h8-9,11H,1-7,16H2
InChIKeyMTHMYXFRYKFPAW-UHFFFAOYSA-N
XLogP2.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 103582177
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
CID 79734463
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
CID 116648233
N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 82927448
N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 62833493
N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
CID 62132183

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine (CID 112675387) is N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine is NCCCN(c1ncc(F)cc1F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is MTHMYXFRYKFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c14-10-8-12(15)13(17-9-10)18(7-3-6-16)11-4-1-2-5-11/h8-9,11H,1-7,16H2.
What are the key properties of N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine?
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 255.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 112675387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).