6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine

C13H23F3N4 — CID 116535205

IUPAC6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
SMILESCN(Cc1cnn(C)c1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H23F3N4/c1-12(10-17,5-4-6-13(14,15)16)19(2)8-11-7-18-20(3)9-11/h7,9H,4-6,8,10,17H2,1-3H3
InChIKeyNBEHPWSURNZYPM-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.30
Rot. Bonds7

About 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine

6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine (PubChem CID 116535205) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
PubChem CID116535205
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
SMILESCN(Cc1cnn(C)c1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H23F3N4/c1-12(10-17,5-4-6-13(14,15)16)19(2)8-11-7-18-20(3)9-11/h7,9H,4-6,8,10,17H2,1-3H3
InChIKeyNBEHPWSURNZYPM-UHFFFAOYSA-N
XLogP2.30
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine with MolForge

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Related Compounds

3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide
CID 54951995
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 79008921
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244
2,2-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanethioamide
CID 65249255
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine (CID 116535205) is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine is CN(Cc1cnn(C)c1)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
The InChIKey is NBEHPWSURNZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-12(10-17,5-4-6-13(14,15)16)19(2)8-11-7-18-20(3)9-11/h7,9H,4-6,8,10,17H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine?
6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine has a molecular weight of 292.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 116535205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).