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

C11H21F3N2O — CID 54962227

IUPACN'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESNCCCN(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-8-2-7-16(6-1-5-15)10-3-4-10/h10H,1-9,15H2
InChIKeyRDTNMOPQBVUFPQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds9

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

N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (PubChem CID 54962227) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
PubChem CID54962227
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESNCCCN(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-8-2-7-16(6-1-5-15)10-3-4-10/h10H,1-9,15H2
InChIKeyRDTNMOPQBVUFPQ-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 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 ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (CID 54962227) is N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is NCCCN(CCCOCC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The InChIKey is RDTNMOPQBVUFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)9-17-8-2-7-16(6-1-5-15)10-3-4-10/h10H,1-9,15H2.
What are the key properties of N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 54962227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).