N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine

C11H23F2N3 — CID 107494588

IUPACN'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESNCCN(CCCN1CCCC1)CC(F)F
InChIInChI=1S/C11H23F2N3/c12-11(13)10-16(9-4-14)8-3-7-15-5-1-2-6-15/h11H,1-10,14H2
InChIKeyIVMSTMLXIYMHCO-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.00
Rot. Bonds8

About N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (PubChem CID 107494588) has the molecular formula C11H23F2N3 and a molecular weight of 235.32 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
PubChem CID107494588
Molecular FormulaC11H23F2N3
Molecular Weight235.32 g/mol
Exact Mass235.19
IUPAC NameN'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESNCCN(CCCN1CCCC1)CC(F)F
InChIInChI=1S/C11H23F2N3/c12-11(13)10-16(9-4-14)8-3-7-15-5-1-2-6-15/h11H,1-10,14H2
InChIKeyIVMSTMLXIYMHCO-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470
N'-(2-aminoethyl)-N'-(2-piperidin-1-ylethyl)ethane-1,2-diamine
CID 67575896
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine
CID 15030040
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
N-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 63389180
6-(azetidin-1-yl)hexan-1-amine
CID 18952651

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (CID 107494588) is N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is NCCN(CCCN1CCCC1)CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The InChIKey is IVMSTMLXIYMHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3/c12-11(13)10-16(9-4-14)8-3-7-15-5-1-2-6-15/h11H,1-10,14H2.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 107494588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).