1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

C11H24F2N2 — CID 102868155

IUPAC1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNC(C)C(F)F)N(C)C
InChIInChI=1S/C11H24F2N2/c1-8(2)6-10(15(4)5)7-14-9(3)11(12)13/h8-11,14H,6-7H2,1-5H3
InChIKeyUVALQIIOBYLMPD-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.21
Rot. Bonds7

About 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 102868155) has the molecular formula C11H24F2N2 and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID102868155
Molecular FormulaC11H24F2N2
Molecular Weight222.32 g/mol
Exact Mass222.19
IUPAC Name1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNC(C)C(F)F)N(C)C
InChIInChI=1S/C11H24F2N2/c1-8(2)6-10(15(4)5)7-14-9(3)11(12)13/h8-11,14H,6-7H2,1-5H3
InChIKeyUVALQIIOBYLMPD-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-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 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 102868155) is 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CNC(C)C(F)F)N(C)C.
What is the InChIKey of 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is UVALQIIOBYLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2/c1-8(2)6-10(15(4)5)7-14-9(3)11(12)13/h8-11,14H,6-7H2,1-5H3.
What are the key properties of 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 222.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-difluoropropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 102868155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).