N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine

C13H24F2N2 — CID 114225230

IUPACN'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine
SMILESNCCCN(CC1CCC(F)(F)C1)C1CCC1
InChIInChI=1S/C13H24F2N2/c14-13(15)6-5-11(9-13)10-17(8-2-7-16)12-3-1-4-12/h11-12H,1-10,16H2
InChIKeyMGEINRKRGDZGFJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.63
Rot. Bonds6

About N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine

N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine (PubChem CID 114225230) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine
PubChem CID114225230
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC NameN'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine
SMILESNCCCN(CC1CCC(F)(F)C1)C1CCC1
InChIInChI=1S/C13H24F2N2/c14-13(15)6-5-11(9-13)10-17(8-2-7-16)12-3-1-4-12/h11-12H,1-10,16H2
InChIKeyMGEINRKRGDZGFJ-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
N'-cyclopentyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896430
N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide
CID 102873906
N'-cyclohexyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diamine
CID 102896432
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 114223672
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79172179

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine (CID 114225230) is N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine is NCCCN(CC1CCC(F)(F)C1)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine?
The InChIKey is MGEINRKRGDZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c14-13(15)6-5-11(9-13)10-17(8-2-7-16)12-3-1-4-12/h11-12H,1-10,16H2.
What are the key properties of N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine?
N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[(3,3-difluorocyclopentyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 114225230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).