N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

C10H19FN4 — CID 81109688

IUPACN-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(CCCF)nn1
InChIInChI=1S/C10H19FN4/c1-9(2)6-12-7-10-8-15(14-13-10)5-3-4-11/h8-9,12H,3-7H2,1-2H3
InChIKeyKYFSETTWIQCDPS-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.38
Rot. Bonds7

About N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81109688) has the molecular formula C10H19FN4 and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID81109688
Molecular FormulaC10H19FN4
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC NameN-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(CCCF)nn1
InChIInChI=1S/C10H19FN4/c1-9(2)6-12-7-10-8-15(14-13-10)5-3-4-11/h8-9,12H,3-7H2,1-2H3
InChIKeyKYFSETTWIQCDPS-UHFFFAOYSA-N
XLogP1.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 81109688) is N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cn(CCCF)nn1.
What is the InChIKey of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KYFSETTWIQCDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4/c1-9(2)6-12-7-10-8-15(14-13-10)5-3-4-11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 214.29 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81109688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).