1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine

C15H31F3N2 — CID 155429475

IUPAC1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine
SMILESCC(C)CNC(C)CCC(C)C(NC(C)C)C(F)(F)F
InChIInChI=1S/C15H31F3N2/c1-10(2)9-19-13(6)8-7-12(5)14(15(16,17)18)20-11(3)4/h10-14,19-20H,7-9H2,1-6H3
InChIKeyTYJTVFHDTIMBSV-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.97
Rot. Bonds9

About 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine

1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine (PubChem CID 155429475) has the molecular formula C15H31F3N2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine
PubChem CID155429475
Molecular FormulaC15H31F3N2
Molecular Weight296.42 g/mol
Exact Mass296.24
IUPAC Name1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine
SMILESCC(C)CNC(C)CCC(C)C(NC(C)C)C(F)(F)F
InChIInChI=1S/C15H31F3N2/c1-10(2)9-19-13(6)8-7-12(5)14(15(16,17)18)20-11(3)4/h10-14,19-20H,7-9H2,1-6H3
InChIKeyTYJTVFHDTIMBSV-UHFFFAOYSA-N
XLogP3.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine?
The IUPAC name of 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine (CID 155429475) is 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine is CC(C)CNC(C)CCC(C)C(NC(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine?
The InChIKey is TYJTVFHDTIMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2/c1-10(2)9-19-13(6)8-7-12(5)14(15(16,17)18)20-11(3)4/h10-14,19-20H,7-9H2,1-6H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine?
1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-6-N-(2-methylpropyl)-2-N-propan-2-ylheptane-2,6-diamine is sourced from PubChem (CID 155429475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).