N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C11H21F3N2O — CID 55002465

IUPACN-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCN(CCCOCC(F)(F)F)CCNC1CC1
InChIInChI=1S/C11H21F3N2O/c1-16(7-5-15-10-3-4-10)6-2-8-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyLHFUPKMTFFKJCS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds9

About N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 55002465) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID55002465
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCN(CCCOCC(F)(F)F)CCNC1CC1
InChIInChI=1S/C11H21F3N2O/c1-16(7-5-15-10-3-4-10)6-2-8-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyLHFUPKMTFFKJCS-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
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-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104563816
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
4-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55006281
N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 79716520
N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348
N'-hydroxy-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54961975
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62636452

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 55002465) is N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CN(CCCOCC(F)(F)F)CCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is LHFUPKMTFFKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16(7-5-15-10-3-4-10)6-2-8-17-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 55002465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).