4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine

C12H24F2N2 — CID 123782345

IUPAC4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine
SMILESCC=C(C)N(C(F)F)C(C)CC(C)NCC
InChIInChI=1S/C12H24F2N2/c1-6-10(4)16(12(13)14)11(5)8-9(3)15-7-2/h6,9,11-12,15H,7-8H2,1-5H3
InChIKeyDNPSSVUWWZPVQT-UHFFFAOYSA-N
MW234.33 g/mol
LogP3.21
Rot. Bonds7

About 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine

4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine (PubChem CID 123782345) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine
PubChem CID123782345
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine
SMILESCC=C(C)N(C(F)F)C(C)CC(C)NCC
InChIInChI=1S/C12H24F2N2/c1-6-10(4)16(12(13)14)11(5)8-9(3)15-7-2/h6,9,11-12,15H,7-8H2,1-5H3
InChIKeyDNPSSVUWWZPVQT-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-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 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine?
The IUPAC name of 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine (CID 123782345) is 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine.
What is the SMILES notation for 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine?
The canonical SMILES for 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine is CC=C(C)N(C(F)F)C(C)CC(C)NCC.
What is the InChIKey of 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine?
The InChIKey is DNPSSVUWWZPVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-6-10(4)16(12(13)14)11(5)8-9(3)15-7-2/h6,9,11-12,15H,7-8H2,1-5H3.
What are the key properties of 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine?
4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine has a molecular weight of 234.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine is sourced from PubChem (CID 123782345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).