N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C11H17F2N3 — CID 107494419

IUPACN'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN)CC(F)F)n1
InChIInChI=1S/C11H17F2N3/c1-9-3-2-4-10(15-9)7-16(6-5-14)8-11(12)13/h2-4,11H,5-8,14H2,1H3
InChIKeyLGRNKQFZFYCQGO-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.42
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 107494419) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID107494419
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC NameN'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN)CC(F)F)n1
InChIInChI=1S/C11H17F2N3/c1-9-3-2-4-10(15-9)7-16(6-5-14)8-11(12)13/h2-4,11H,5-8,14H2,1H3
InChIKeyLGRNKQFZFYCQGO-UHFFFAOYSA-N
XLogP1.42
TPSA42.15 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
1,4-bis[bis[(6-methyl-2-pyridinyl)methyl]amino]butan-2-ol
CID 100917591
2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81314059
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine
CID 101120359
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 107494419) is N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(CCN)CC(F)F)n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is LGRNKQFZFYCQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-9-3-2-4-10(15-9)7-16(6-5-14)8-11(12)13/h2-4,11H,5-8,14H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 229.27 g/mol, XLogP of 1.42, 6 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'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107494419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).