2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine

C15H29F3N2 — CID 116535237

IUPAC2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-12(2)7-10-20(13-5-6-13)14(3,11-19)8-4-9-15(16,17)18/h12-13H,4-11,19H2,1-3H3
InChIKeyWQNSCJBKELVEFO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.95
Rot. Bonds9

About 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine

2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine (PubChem CID 116535237) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine
PubChem CID116535237
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-12(2)7-10-20(13-5-6-13)14(3,11-19)8-4-9-15(16,17)18/h12-13H,4-11,19H2,1-3H3
InChIKeyWQNSCJBKELVEFO-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.95
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-(3-methylbutyl)hexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine (CID 116535237) is 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine is CC(C)CCN(C1CC1)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine?
The InChIKey is WQNSCJBKELVEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-12(2)7-10-20(13-5-6-13)14(3,11-19)8-4-9-15(16,17)18/h12-13H,4-11,19H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine?
2-N-cyclopropyl-6,6,6-trifluoro-2-methyl-2-N-(3-methylbutyl)hexane-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.95, 9 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-(3-methylbutyl)hexane-1,2-diamine is sourced from PubChem (CID 116535237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).