3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine

C10H19F3N2O — CID 61453019

IUPAC3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCOCCN(C1CC1)C(CCN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-7-6-15(8-2-3-8)9(4-5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyOTCWKTVXNKSOFL-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds7

About 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine

3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (PubChem CID 61453019) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
PubChem CID61453019
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCOCCN(C1CC1)C(CCN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-16-7-6-15(8-2-3-8)9(4-5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyOTCWKTVXNKSOFL-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (CID 61453019) is 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is COCCN(C1CC1)C(CCN)C(F)(F)F.
What is the InChIKey of 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The InChIKey is OTCWKTVXNKSOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-7-6-15(8-2-3-8)9(4-5-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is sourced from PubChem (CID 61453019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).