N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine

C9H16F2N2 — CID 165464055

IUPACN-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine
SMILESC#CCN(CC)CC(F)(F)CNC
InChIInChI=1S/C9H16F2N2/c1-4-6-13(5-2)8-9(10,11)7-12-3/h1,12H,5-8H2,2-3H3
InChIKeyOPHUGVNKOLUQSL-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.80
Rot. Bonds6

About N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine

N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine (PubChem CID 165464055) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine
PubChem CID165464055
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine
SMILESC#CCN(CC)CC(F)(F)CNC
InChIInChI=1S/C9H16F2N2/c1-4-6-13(5-2)8-9(10,11)7-12-3/h1,12H,5-8H2,2-3H3
InChIKeyOPHUGVNKOLUQSL-UHFFFAOYSA-N
XLogP0.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine?
The IUPAC name of N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine (CID 165464055) is N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine is C#CCN(CC)CC(F)(F)CNC.
What is the InChIKey of N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine?
The InChIKey is OPHUGVNKOLUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-4-6-13(5-2)8-9(10,11)7-12-3/h1,12H,5-8H2,2-3H3.
What are the key properties of N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine?
N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine has a molecular weight of 190.24 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N'-methyl-N-prop-2-ynylpropane-1,3-diamine is sourced from PubChem (CID 165464055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).