N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C13H22FN3 — CID 103780380

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C)c1cncc(F)c1
InChIInChI=1S/C13H22FN3/c1-10(2)17(4)6-5-16-11(3)12-7-13(14)9-15-8-12/h7-11,16H,5-6H2,1-4H3
InChIKeyDCXMCFCJVBOPDI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.21
Rot. Bonds6

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 103780380) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID103780380
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C)c1cncc(F)c1
InChIInChI=1S/C13H22FN3/c1-10(2)17(4)6-5-16-11(3)12-7-13(14)9-15-8-12/h7-11,16H,5-6H2,1-4H3
InChIKeyDCXMCFCJVBOPDI-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
CID 115716617
1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 103776011
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115721045
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351
1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 113364614

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 103780380) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(NCCN(C)C(C)C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is DCXMCFCJVBOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-10(2)17(4)6-5-16-11(3)12-7-13(14)9-15-8-12/h7-11,16H,5-6H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 239.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 103780380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).