1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine

C11H23F3N2 — CID 64554804

IUPAC1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-9(2)7-10(8-16(3)4)15-6-5-11(12,13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyNPQQZHDGOIPXQH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.50
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine (PubChem CID 64554804) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine
PubChem CID64554804
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-9(2)7-10(8-16(3)4)15-6-5-11(12,13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyNPQQZHDGOIPXQH-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine (CID 64554804) is 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine is CC(C)CC(CN(C)C)NCCC(F)(F)F.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine?
The InChIKey is NPQQZHDGOIPXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-9(2)7-10(8-16(3)4)15-6-5-11(12,13)14/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(3,3,3-trifluoropropyl)pentane-1,2-diamine is sourced from PubChem (CID 64554804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).