N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

C13H23FN4 — CID 105389911

IUPACN'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCNCc1ccnc(N(C)CCN(C)C)c1F
InChIInChI=1S/C13H23FN4/c1-5-15-10-11-6-7-16-13(12(11)14)18(4)9-8-17(2)3/h6-7,15H,5,8-10H2,1-4H3
InChIKeyGXOYIJMUOOGZAG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.33
Rot. Bonds7

About N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 105389911) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID105389911
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC NameN'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCNCc1ccnc(N(C)CCN(C)C)c1F
InChIInChI=1S/C13H23FN4/c1-5-15-10-11-6-7-16-13(12(11)14)18(4)9-8-17(2)3/h6-7,15H,5,8-10H2,1-4H3
InChIKeyGXOYIJMUOOGZAG-UHFFFAOYSA-N
XLogP1.33
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Related Compounds

4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105388874
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389902
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 105390125

Frequently Asked Questions

What is the IUPAC name of N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (CID 105389911) is N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is CCNCc1ccnc(N(C)CCN(C)C)c1F.
What is the InChIKey of N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GXOYIJMUOOGZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4/c1-5-15-10-11-6-7-16-13(12(11)14)18(4)9-8-17(2)3/h6-7,15H,5,8-10H2,1-4H3.
What are the key properties of N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 105389911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).