N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine

C9H17F3N2O — CID 106219170

IUPACN-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
SMILESCOCCNCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-15-7-6-13-4-5-14-8(2-3-8)9(10,11)12/h13-14H,2-7H2,1H3
InChIKeyNZNFXICJNSEYHH-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.91
Rot. Bonds7

About N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine (PubChem CID 106219170) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
PubChem CID106219170
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
SMILESCOCCNCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-15-7-6-13-4-5-14-8(2-3-8)9(10,11)12/h13-14H,2-7H2,1H3
InChIKeyNZNFXICJNSEYHH-UHFFFAOYSA-N
XLogP0.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
CID 106219094
N-(2-ethoxyethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212436
N-(2-methoxyethyl)-N'-(1-methylcyclopentyl)ethane-1,2-diamine
CID 79290465
N-nonyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212400
N-decyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210328
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N-propyl-1-(trifluoromethyl)cyclopentan-1-amine
CID 66206814
3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol
CID 106212158
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
CID 102723293

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine (CID 106219170) is N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine is COCCNCCNC1(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The InChIKey is NZNFXICJNSEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-15-7-6-13-4-5-14-8(2-3-8)9(10,11)12/h13-14H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine has a molecular weight of 226.24 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine is sourced from PubChem (CID 106219170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).