3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine

C11H18FN3 — CID 107443651

IUPAC3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine
SMILESCC(C)C(CN)C(F)c1cccnc1N
InChIInChI=1S/C11H18FN3/c1-7(2)9(6-13)10(12)8-4-3-5-15-11(8)14/h3-5,7,9-10H,6,13H2,1-2H3,(H2,14,15)
InChIKeyVWQJBGTUHSCQPW-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.91
Rot. Bonds4

About 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine

3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine (PubChem CID 107443651) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine
PubChem CID107443651
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine
SMILESCC(C)C(CN)C(F)c1cccnc1N
InChIInChI=1S/C11H18FN3/c1-7(2)9(6-13)10(12)8-4-3-5-15-11(8)14/h3-5,7,9-10H,6,13H2,1-2H3,(H2,14,15)
InChIKeyVWQJBGTUHSCQPW-UHFFFAOYSA-N
XLogP1.91
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443570
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702
3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
CID 79492532
3-(1-hydrazinyl-4-methylpentyl)pyridin-2-amine
CID 105207559
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
2-[(2,4-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443637
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine?
The IUPAC name of 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine (CID 107443651) is 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine is CC(C)C(CN)C(F)c1cccnc1N.
What is the InChIKey of 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine?
The InChIKey is VWQJBGTUHSCQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-7(2)9(6-13)10(12)8-4-3-5-15-11(8)14/h3-5,7,9-10H,6,13H2,1-2H3,(H2,14,15).
What are the key properties of 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine?
3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine has a molecular weight of 211.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine is sourced from PubChem (CID 107443651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).