1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

C15H26FN3 — CID 83126296

IUPAC1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN(CCC(N)c1ccc(F)cn1)C(C)C
InChIInChI=1S/C15H26FN3/c1-11(2)10-19(12(3)4)8-7-14(17)15-6-5-13(16)9-18-15/h5-6,9,11-12,14H,7-8,10,17H2,1-4H3
InChIKeyCIESPEUTLBEKAE-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.98
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 83126296) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID83126296
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CN(CCC(N)c1ccc(F)cn1)C(C)C
InChIInChI=1S/C15H26FN3/c1-11(2)10-19(12(3)4)8-7-14(17)15-6-5-13(16)9-18-15/h5-6,9,11-12,14H,7-8,10,17H2,1-4H3
InChIKeyCIESPEUTLBEKAE-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 83126002
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 83126860
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861
1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 115941309
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126650
1-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 83126304
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 83126490

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (CID 83126296) is 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)CN(CCC(N)c1ccc(F)cn1)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CIESPEUTLBEKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-11(2)10-19(12(3)4)8-7-14(17)15-6-5-13(16)9-18-15/h5-6,9,11-12,14H,7-8,10,17H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 83126296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).