6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine

C13H22F3N3 — CID 103011409

IUPAC6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccnn1C)CCC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-3-9-17-11(6-8-13(14,15)16)4-5-12-7-10-18-19(12)2/h7,10-11,17H,3-6,8-9H2,1-2H3
InChIKeyYCUGFFSZXZAHIQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.06
Rot. Bonds8

About 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine

6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine (PubChem CID 103011409) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
PubChem CID103011409
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccnn1C)CCC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-3-9-17-11(6-8-13(14,15)16)4-5-12-7-10-18-19(12)2/h7,10-11,17H,3-6,8-9H2,1-2H3
InChIKeyYCUGFFSZXZAHIQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine (CID 103011409) is 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine is CCCNC(CCc1ccnn1C)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
The InChIKey is YCUGFFSZXZAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-3-9-17-11(6-8-13(14,15)16)4-5-12-7-10-18-19(12)2/h7,10-11,17H,3-6,8-9H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine has a molecular weight of 277.33 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 103011409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).