N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine

C15H26FN3 — CID 112585660

IUPACN'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine
SMILESCCC(c1ccc(F)cn1)N(CC)CC(C)(C)CN
InChIInChI=1S/C15H26FN3/c1-5-14(13-8-7-12(16)9-18-13)19(6-2)11-15(3,4)10-17/h7-9,14H,5-6,10-11,17H2,1-4H3
InChIKeySZLVOSBANVJGGX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.98
Rot. Bonds7

About N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine

N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 112585660) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID112585660
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine
SMILESCCC(c1ccc(F)cn1)N(CC)CC(C)(C)CN
InChIInChI=1S/C15H26FN3/c1-5-14(13-8-7-12(16)9-18-13)19(6-2)11-15(3,4)10-17/h7-9,14H,5-6,10-11,17H2,1-4H3
InChIKeySZLVOSBANVJGGX-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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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine (CID 112585660) is N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine is CCC(c1ccc(F)cn1)N(CC)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is SZLVOSBANVJGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-5-14(13-8-7-12(16)9-18-13)19(6-2)11-15(3,4)10-17/h7-9,14H,5-6,10-11,17H2,1-4H3.
What are the key properties of N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine?
N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-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 N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112585660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).