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

C17H30FN3 — CID 115941309

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CC(C)C(N)c1ccc(F)cn1)C(C)C
InChIInChI=1S/C17H30FN3/c1-5-6-7-10-21(13(2)3)12-14(4)17(19)16-9-8-15(18)11-20-16/h8-9,11,13-14,17H,5-7,10,12,19H2,1-4H3
InChIKeyKOORJNVJHDSGNB-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.76
Rot. Bonds9

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

1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 115941309) has the molecular formula C17H30FN3 and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID115941309
Molecular FormulaC17H30FN3
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CC(C)C(N)c1ccc(F)cn1)C(C)C
InChIInChI=1S/C17H30FN3/c1-5-6-7-10-21(13(2)3)12-14(4)17(19)16-9-8-15(18)11-20-16/h8-9,11,13-14,17H,5-7,10,12,19H2,1-4H3
InChIKeyKOORJNVJHDSGNB-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 112586299
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 115941207
1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115941314
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine (CID 115941309) is 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine is CCCCCN(CC(C)C(N)c1ccc(F)cn1)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KOORJNVJHDSGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN3/c1-5-6-7-10-21(13(2)3)12-14(4)17(19)16-9-8-15(18)11-20-16/h8-9,11,13-14,17H,5-7,10,12,19H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-2-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 295.45 g/mol, XLogP of 3.76, 9 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'-pentyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115941309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).