N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine

C15H26FN3 — CID 112586264

IUPACN'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine
SMILESCCCCN(CC)CC(C)C(N)c1ccc(F)cn1
InChIInChI=1S/C15H26FN3/c1-4-6-9-19(5-2)11-12(3)15(17)14-8-7-13(16)10-18-14/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3
InChIKeyUPQKJILRHJZFPJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.98
Rot. Bonds8

About N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine

N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine (PubChem CID 112586264) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine
PubChem CID112586264
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine
SMILESCCCCN(CC)CC(C)C(N)c1ccc(F)cn1
InChIInChI=1S/C15H26FN3/c1-4-6-9-19(5-2)11-12(3)15(17)14-8-7-13(16)10-18-14/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3
InChIKeyUPQKJILRHJZFPJ-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-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

1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 115941309
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 112586299
3-[3-(dimethylamino)propyl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 102997242
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664627
N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 115941310
1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115941314
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 115941207
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine (CID 112586264) is N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine is CCCCN(CC)CC(C)C(N)c1ccc(F)cn1.
What is the InChIKey of N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine?
The InChIKey is UPQKJILRHJZFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-4-6-9-19(5-2)11-12(3)15(17)14-8-7-13(16)10-18-14/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3.
What are the key properties of N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine?
N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 112586264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).