N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine

C14H24FN3 — CID 83126144

IUPACN'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESCCC(C)N(CC)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3/c1-4-11(3)18(5-2)9-8-13(16)14-7-6-12(15)10-17-14/h6-7,10-11,13H,4-5,8-9,16H2,1-3H3
InChIKeyNKLMGZLEVYJHBM-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.73
Rot. Bonds7

About N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine

N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine (PubChem CID 83126144) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
PubChem CID83126144
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC NameN'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESCCC(C)N(CC)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3/c1-4-11(3)18(5-2)9-8-13(16)14-7-6-12(15)10-17-14/h6-7,10-11,13H,4-5,8-9,16H2,1-3H3
InChIKeyNKLMGZLEVYJHBM-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 83126002
1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 83126860
1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 83126304
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126650
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 83126490
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine (CID 83126144) is N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine is CCC(C)N(CC)CCC(N)c1ccc(F)cn1.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is NKLMGZLEVYJHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-4-11(3)18(5-2)9-8-13(16)14-7-6-12(15)10-17-14/h6-7,10-11,13H,4-5,8-9,16H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine?
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 253.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 83126144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).