1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

C15H22FN3 — CID 112586299

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(C)C(N)c1ccc(F)cn1
InChIInChI=1S/C15H22FN3/c1-4-8-19(9-5-2)11-12(3)15(17)14-7-6-13(16)10-18-14/h4-7,10,12,15H,1-2,8-9,11,17H2,3H3
InChIKeyJOAZMDOBYWLVSF-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.53
Rot. Bonds8

About 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 112586299) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID112586299
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(C)C(N)c1ccc(F)cn1
InChIInChI=1S/C15H22FN3/c1-4-8-19(9-5-2)11-12(3)15(17)14-7-6-13(16)10-18-14/h4-7,10,12,15H,1-2,8-9,11,17H2,3H3
InChIKeyJOAZMDOBYWLVSF-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 112586264
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
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
1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 115941309
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 115941207
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'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115941314
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256
1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 112586259
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 83126002

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 112586299) is 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CC(C)C(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is JOAZMDOBYWLVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-4-8-19(9-5-2)11-12(3)15(17)14-7-6-13(16)10-18-14/h4-7,10,12,15H,1-2,8-9,11,17H2,3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 263.36 g/mol, XLogP of 2.53, 8 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)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 112586299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).