2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine

C16H26FN3 — CID 115940605

IUPAC2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine
SMILESCCC(c1ccc(F)cn1)N(CC)C1CCCC1CN
InChIInChI=1S/C16H26FN3/c1-3-15(14-9-8-13(17)11-19-14)20(4-2)16-7-5-6-12(16)10-18/h8-9,11-12,15-16H,3-7,10,18H2,1-2H3
InChIKeyWGDTXPJFORTZEL-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.12
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine

2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine (PubChem CID 115940605) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine
PubChem CID115940605
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine
SMILESCCC(c1ccc(F)cn1)N(CC)C1CCCC1CN
InChIInChI=1S/C16H26FN3/c1-3-15(14-9-8-13(17)11-19-14)20(4-2)16-7-5-6-12(16)10-18/h8-9,11-12,15-16H,3-7,10,18H2,1-2H3
InChIKeyWGDTXPJFORTZEL-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine
CID 112585660
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621639
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722319
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine
CID 112585653
cyclopentyl-(5-fluoro-2-pyridinyl)methanamine
CID 79721472
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803
1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine
CID 112585618
N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115938758
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 114045714

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine (CID 115940605) is 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine is CCC(c1ccc(F)cn1)N(CC)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine?
The InChIKey is WGDTXPJFORTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-15(14-9-8-13(17)11-19-14)20(4-2)16-7-5-6-12(16)10-18/h8-9,11-12,15-16H,3-7,10,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine?
2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-[1-(5-fluoro-2-pyridinyl)propyl]cyclopentan-1-amine is sourced from PubChem (CID 115940605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).