1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine

C7H15F2N3 — CID 87229748

IUPAC1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine
SMILESC=C(C)C(F)(F)N(CN)C(C)N
InChIInChI=1S/C7H15F2N3/c1-5(2)7(8,9)12(4-10)6(3)11/h6H,1,4,10-11H2,2-3H3
InChIKeyMLZNFEXDIFGVCD-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.68
Rot. Bonds4

About 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine

1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine (PubChem CID 87229748) has the molecular formula C7H15F2N3 and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine
PubChem CID87229748
Molecular FormulaC7H15F2N3
Molecular Weight179.21 g/mol
Exact Mass179.12
IUPAC Name1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine
SMILESC=C(C)C(F)(F)N(CN)C(C)N
InChIInChI=1S/C7H15F2N3/c1-5(2)7(8,9)12(4-10)6(3)11/h6H,1,4,10-11H2,2-3H3
InChIKeyMLZNFEXDIFGVCD-UHFFFAOYSA-N
XLogP0.68
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine (CID 87229748) is 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine is C=C(C)C(F)(F)N(CN)C(C)N.
What is the InChIKey of 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
The InChIKey is MLZNFEXDIFGVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3/c1-5(2)7(8,9)12(4-10)6(3)11/h6H,1,4,10-11H2,2-3H3.
What are the key properties of 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine?
1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine has a molecular weight of 179.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(aminomethyl)-1-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,1-diamine is sourced from PubChem (CID 87229748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).