6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine

C14H29F3N2O2 — CID 116535225

IUPAC6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine
SMILESCOCCCN(CCOC)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H29F3N2O2/c1-13(12-18,6-4-7-14(15,16)17)19(9-11-21-3)8-5-10-20-2/h4-12,18H2,1-3H3
InChIKeyYLIHRVDUSSIYRC-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.42
Rot. Bonds12

About 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine

6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine (PubChem CID 116535225) has the molecular formula C14H29F3N2O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine
PubChem CID116535225
Molecular FormulaC14H29F3N2O2
Molecular Weight314.39 g/mol
Exact Mass314.22
IUPAC Name6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine
SMILESCOCCCN(CCOC)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C14H29F3N2O2/c1-13(12-18,6-4-7-14(15,16)17)19(9-11-21-3)8-5-10-20-2/h4-12,18H2,1-3H3
InChIKeyYLIHRVDUSSIYRC-UHFFFAOYSA-N
XLogP2.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62004510
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005068
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006009
2-N,2-diethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62008593
2-ethyl-2-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62008602
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008736
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008940
2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62008967
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62009125
2-methyl-2-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62009178
2-ethyl-2-N-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62009186
1-(aminomethyl)-N-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 62009340

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine (CID 116535225) is 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine is COCCCN(CCOC)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine?
The InChIKey is YLIHRVDUSSIYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2O2/c1-13(12-18,6-4-7-14(15,16)17)19(9-11-21-3)8-5-10-20-2/h4-12,18H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine?
6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine has a molecular weight of 314.39 g/mol, XLogP of 2.42, 12 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-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylhexane-1,2-diamine is sourced from PubChem (CID 116535225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).