2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine

C15H22N4 — CID 106569028

IUPAC2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nccn1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-15(2,18(3)4)12-17-14-16-10-11-19(14)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,16,17)
InChIKeyAKTSYXHTOXZMGO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.62
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine (PubChem CID 106569028) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine
PubChem CID106569028
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nccn1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-15(2,18(3)4)12-17-14-16-10-11-19(14)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,16,17)
InChIKeyAKTSYXHTOXZMGO-UHFFFAOYSA-N
XLogP2.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine (CID 106569028) is 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine is CN(C)C(C)(C)CNc1nccn1-c1ccccc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine?
The InChIKey is AKTSYXHTOXZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2,18(3)4)12-17-14-16-10-11-19(14)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,16,17).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 106569028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).