N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine

C16H27FN2 — CID 79712767

IUPACN,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(F)cn1
InChIInChI=1S/C16H27FN2/c1-4-7-8-13(5-2)11-16(18-6-3)15-10-9-14(17)12-19-15/h9-10,12-13,16,18H,4-8,11H2,1-3H3
InChIKeyIEWBDQMSFZTNCD-UHFFFAOYSA-N
MW266.40 g/mol
LogP4.48
Rot. Bonds9

About N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine

N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine (PubChem CID 79712767) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
PubChem CID79712767
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(F)cn1
InChIInChI=1S/C16H27FN2/c1-4-7-8-13(5-2)11-16(18-6-3)15-10-9-14(17)12-19-15/h9-10,12-13,16,18H,4-8,11H2,1-3H3
InChIKeyIEWBDQMSFZTNCD-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine 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

3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
CID 83111687
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine
CID 83126704
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine?
The IUPAC name of N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine (CID 79712767) is N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine?
The canonical SMILES for N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine is CCCCC(CC)CC(NCC)c1ccc(F)cn1.
What is the InChIKey of N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine?
The InChIKey is IEWBDQMSFZTNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-7-8-13(5-2)11-16(18-6-3)15-10-9-14(17)12-19-15/h9-10,12-13,16,18H,4-8,11H2,1-3H3.
What are the key properties of N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine?
N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine has a molecular weight of 266.40 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine is sourced from PubChem (CID 79712767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).