1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine

C15H26FN3 — CID 79062411

IUPAC1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCNC(c1cncc(F)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C15H26FN3/c1-6-15(7-2,19(4)5)14(18-8-3)12-9-13(16)11-17-10-12/h9-11,14,18H,6-8H2,1-5H3
InChIKeyUNFBDEFRTQYYJB-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.99
Rot. Bonds7

About 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine

1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 79062411) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID79062411
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCNC(c1cncc(F)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C15H26FN3/c1-6-15(7-2,19(4)5)14(18-8-3)12-9-13(16)11-17-10-12/h9-11,14,18H,6-8H2,1-5H3
InChIKeyUNFBDEFRTQYYJB-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine (CID 79062411) is 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine is CCNC(c1cncc(F)c1)C(CC)(CC)N(C)C.
What is the InChIKey of 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is UNFBDEFRTQYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-6-15(7-2,19(4)5)14(18-8-3)12-9-13(16)11-17-10-12/h9-11,14,18H,6-8H2,1-5H3.
What are the key properties of 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine?
1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-diethyl-1-(5-fluoro-3-pyridinyl)-2-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79062411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).