N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine

C10H21F3N2O — CID 62591348

IUPACN'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
SMILESCCCNCCN(C)CCOCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-4-14-5-6-15(2)7-8-16-9-10(11,12)13/h14H,3-9H2,1-2H3
InChIKeyBZOSJWAIYCCBSA-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds9

About N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine

N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine (PubChem CID 62591348) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
PubChem CID62591348
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC NameN'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
SMILESCCCNCCN(C)CCOCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-4-14-5-6-15(2)7-8-16-9-10(11,12)13/h14H,3-9H2,1-2H3
InChIKeyBZOSJWAIYCCBSA-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine
CID 106453516
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62636452
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
2-[2-[2-(ethylamino)ethyl-methylamino]ethoxy]ethanol
CID 142883467
2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490462
N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002465
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106723752
N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 103213374
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine (CID 62591348) is N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine is CCCNCCN(C)CCOCC(F)(F)F.
What is the InChIKey of N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is BZOSJWAIYCCBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-3-4-14-5-6-15(2)7-8-16-9-10(11,12)13/h14H,3-9H2,1-2H3.
What are the key properties of N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62591348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).