2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine

C14H27F3N2 — CID 116535229

IUPAC2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-11(2)9-19(12-5-6-12)13(3,10-18)7-4-8-14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyQCAJLVOLGSAAIO-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.56
Rot. Bonds8

About 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine

2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine (PubChem CID 116535229) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine
PubChem CID116535229
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-11(2)9-19(12-5-6-12)13(3,10-18)7-4-8-14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyQCAJLVOLGSAAIO-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine (CID 116535229) is 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine is CC(C)CN(C1CC1)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
The InChIKey is QCAJLVOLGSAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-11(2)9-19(12-5-6-12)13(3,10-18)7-4-8-14(15,16)17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine is sourced from PubChem (CID 116535229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).