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

C10H21F3N2O — CID 61491375

IUPACN'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCCN(CCN)CCCOCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-2-5-15(7-4-14)6-3-8-16-9-10(11,12)13/h2-9,14H2,1H3
InChIKeyVXTKSRLTZASDKV-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.63
Rot. Bonds9

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

N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 61491375) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID61491375
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC NameN'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCCN(CCN)CCCOCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-2-5-15(7-4-14)6-3-8-16-9-10(11,12)13/h2-9,14H2,1H3
InChIKeyVXTKSRLTZASDKV-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 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 ≤ 51.63
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

(2-Aminoethyl)(3-methoxypropyl)methylamine
CID 54595302
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine
CID 45792290
N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491337
N'-methyl-N-propyl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65804100
1-(2,2-Difluoro-3-methoxypropyl)piperazine
CID 68013394
2,2-difluoro-N-methyl-3-(4-piperazin-1-ylbutoxy)propan-1-amine;ethane
CID 142386155
N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine
CID 144867809
1-[2-Methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 144867858
3,3,3-trifluoro-2-N-methyl-2-N-(oxan-4-yl)propane-1,2-diamine
CID 43752762
1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961613
N,N,2,2-tetramethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 54961709
1-N,1-N,3-trimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 54961716

Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 61491375) is N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CCCN(CCN)CCCOCC(F)(F)F.
What is the InChIKey of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is VXTKSRLTZASDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-2-5-15(7-4-14)6-3-8-16-9-10(11,12)13/h2-9,14H2,1H3.
What are the key properties of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 61491375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).